1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one

C102H106Cl2N24O10 — CID 157304345

IUPAC1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one
SMILESCCCC(=O)Cc1ncc(C(=O)Cc2cccc(Cl)c2)c(Nc2ccccc2)n1.CCCC(=O)Cc1ncc(C(=O)Cc2cccnc2)c(Nc2ccccc2)n1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)NCC)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2Cl)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccnn2C)cn1
InChIInChI=1S/C23H22ClN3O2.C22H22N4O2.C21H20ClN5O2.C19H21N7O2.C17H21N5O2/c1-2-7-19(28)14-22-25-15-20(21(29)13-16-8-6-9-17(24)12-16)23(27-22)26-18-10-4-3-5-11-18;1-2-7-18(27)13-21-24-15-19(20(28)12-16-8-6-11-23-14-16)22(26-21)25-17-9-4-3-5-10-17;1-2-23-21(29)27-19-12-18(25-14-8-4-3-5-9-14)15(13-24-19)20(28)26-17-11-7-6-10-16(17)22;1-3-20-19(28)24-16-11-15(23-13-7-5-4-6-8-13)14(12-21-16)18(27)25-17-9-10-22-26(17)2;1-3-18-16(23)13-11-20-15(22-17(24)19-4-2)10-14(13)21-12-8-6-5-7-9-12/h3-6,8-12,15H,2,7,13-14H2,1H3,(H,25,26,27);3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,24,25,26);3-13H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29);4-12H,3H2,1-2H3,(H,25,27)(H3,20,21,23,24,28);5-11H,3-4H2,1-2H3,(H,18,23)(H3,19,20,21,22,24)
InChIKeyBCGUNSADMCQNJV-UHFFFAOYSA-N
MW1899.03 g/mol
LogP19.70
Rot. Bonds36

About 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one

1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one (PubChem CID 157304345) has the molecular formula C102H106Cl2N24O10 and a molecular weight of 1899.03 g/mol. Its IUPAC name is 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one.

Molecular Properties

Compound Name1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one
PubChem CID157304345
Molecular FormulaC102H106Cl2N24O10
Molecular Weight1899.03 g/mol
Exact Mass1896.79
IUPAC Name1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one
SMILESCCCC(=O)Cc1ncc(C(=O)Cc2cccc(Cl)c2)c(Nc2ccccc2)n1.CCCC(=O)Cc1ncc(C(=O)Cc2cccnc2)c(Nc2ccccc2)n1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)NCC)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2Cl)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccnn2C)cn1
InChIInChI=1S/C23H22ClN3O2.C22H22N4O2.C21H20ClN5O2.C19H21N7O2.C17H21N5O2/c1-2-7-19(28)14-22-25-15-20(21(29)13-16-8-6-9-17(24)12-16)23(27-22)26-18-10-4-3-5-11-18;1-2-7-18(27)13-21-24-15-19(20(28)12-16-8-6-11-23-14-16)22(26-21)25-17-9-4-3-5-10-17;1-2-23-21(29)27-19-12-18(25-14-8-4-3-5-9-14)15(13-24-19)20(28)26-17-11-7-6-10-16(17)22;1-3-20-19(28)24-16-11-15(23-13-7-5-4-6-8-13)14(12-21-16)18(27)25-17-9-10-22-26(17)2;1-3-18-16(23)13-11-20-15(22-17(24)19-4-2)10-14(13)21-12-8-6-5-7-9-12/h3-6,8-12,15H,2,7,13-14H2,1H3,(H,25,26,27);3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,24,25,26);3-13H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29);4-12H,3H2,1-2H3,(H,25,27)(H3,20,21,23,24,28);5-11H,3-4H2,1-2H3,(H,18,23)(H3,19,20,21,22,24)
InChIKeyBCGUNSADMCQNJV-UHFFFAOYSA-N
XLogP19.70
TPSA460.06 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.03
LogP ≤ 519.70
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Analyze 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one?
The IUPAC name of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one (CID 157304345) is 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one.
What is the SMILES notation for 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one?
The canonical SMILES for 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one is CCCC(=O)Cc1ncc(C(=O)Cc2cccc(Cl)c2)c(Nc2ccccc2)n1.CCCC(=O)Cc1ncc(C(=O)Cc2cccnc2)c(Nc2ccccc2)n1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)NCC)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2Cl)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccnn2C)cn1.
What is the InChIKey of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one?
The InChIKey is BCGUNSADMCQNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2.C22H22N4O2.C21H20ClN5O2.C19H21N7O2.C17H21N5O2/c1-2-7-19(28)14-22-25-15-20(21(29)13-16-8-6-9-17(24)12-16)23(27-22)26-18-10-4-3-5-11-18;1-2-7-18(27)13-21-24-15-19(20(28)12-16-8-6-11-23-14-16)22(26-21)25-17-9-4-3-5-10-17;1-2-23-21(29)27-19-12-18(25-14-8-4-3-5-9-14)15(13-24-19)20(28)26-17-11-7-6-10-16(17)22;1-3-20-19(28)24-16-11-15(23-13-7-5-4-6-8-13)14(12-21-16)18(27)25-17-9-10-22-26(17)2;1-3-18-16(23)13-11-20-15(22-17(24)19-4-2)10-14(13)21-12-8-6-5-7-9-12/h3-6,8-12,15H,2,7,13-14H2,1H3,(H,25,26,27);3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,24,25,26);3-13H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29);4-12H,3H2,1-2H3,(H,25,27)(H3,20,21,23,24,28);5-11H,3-4H2,1-2H3,(H,18,23)(H3,19,20,21,22,24).
What are the key properties of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one?
1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one has a molecular weight of 1899.03 g/mol, XLogP of 19.70, 36 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]pyrimidin-2-yl]pentan-2-one;4-anilino-N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;4-anilino-N-ethyl-6-(ethylcarbamoylamino)pyridine-3-carboxamide;1-[4-anilino-5-(2-pyridin-3-ylacetyl)pyrimidin-2-yl]pentan-2-one is sourced from PubChem (CID 157304345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).