2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide

C19H20Cl2N4O3 — CID 90957574

IUPAC2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide
SMILESCCN(C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)C1CC(O)C1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-25(12-9-13(26)10-12)19(28)24-16-8-11(6-7-22-16)23-18(27)17-14(20)4-3-5-15(17)21/h3-8,12-13,26H,2,9-10H2,1H3,(H2,22,23,24,27,28)
InChIKeyRLLYKTJITYBTEP-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.02
Rot. Bonds5

About 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide (PubChem CID 90957574) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide
PubChem CID90957574
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide
SMILESCCN(C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)C1CC(O)C1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-25(12-9-13(26)10-12)19(28)24-16-8-11(6-7-22-16)23-18(27)17-14(20)4-3-5-15(17)21/h3-8,12-13,26H,2,9-10H2,1H3,(H2,22,23,24,27,28)
InChIKeyRLLYKTJITYBTEP-UHFFFAOYSA-N
XLogP4.02
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618440
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
2,6-dichloro-N-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]benzamide
CID 59618340
2,6-dichloro-N-[2-(dimethylamino)-4-pyridinyl]benzamide
CID 59618587
N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
CID 59618071
2,6-dichloro-N-[2-[[5-(dimethylamino)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618178
2,6-dichloro-N-[2-[[2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 118720009
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2,6-dichloro-N-[2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-4-pyridinyl]benzamide
CID 68673205

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide (CID 90957574) is 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide is CCN(C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)C1CC(O)C1.
What is the InChIKey of 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide?
The InChIKey is RLLYKTJITYBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-2-25(12-9-13(26)10-12)19(28)24-16-8-11(6-7-22-16)23-18(27)17-14(20)4-3-5-15(17)21/h3-8,12-13,26H,2,9-10H2,1H3,(H2,22,23,24,27,28).
What are the key properties of 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide has a molecular weight of 423.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 90957574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).