4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane

C25H31Cl2N5O2 — CID 145131091

IUPAC4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane
SMILESC=C(C)c1c(NCc2cc(OC)ncn2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl.CC.CC
InChIInChI=1S/C21H19Cl2N5O2.2C2H6/c1-12(2)18-19(23)16(21(29)28-14-6-4-13(22)5-7-14)10-25-20(18)24-9-15-8-17(30-3)27-11-26-15;2*1-2/h4-8,10-11H,1,9H2,2-3H3,(H,24,25)(H,28,29);2*1-2H3
InChIKeyRDKRGAURDNMYJO-UHFFFAOYSA-N
MW504.46 g/mol
LogP7.14
Rot. Bonds7

About 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane

4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane (PubChem CID 145131091) has the molecular formula C25H31Cl2N5O2 and a molecular weight of 504.46 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane
PubChem CID145131091
Molecular FormulaC25H31Cl2N5O2
Molecular Weight504.46 g/mol
Exact Mass503.19
IUPAC Name4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane
SMILESC=C(C)c1c(NCc2cc(OC)ncn2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl.CC.CC
InChIInChI=1S/C21H19Cl2N5O2.2C2H6/c1-12(2)18-19(23)16(21(29)28-14-6-4-13(22)5-7-14)10-25-20(18)24-9-15-8-17(30-3)27-11-26-15;2*1-2/h4-8,10-11H,1,9H2,2-3H3,(H,24,25)(H,28,29);2*1-2H3
InChIKeyRDKRGAURDNMYJO-UHFFFAOYSA-N
XLogP7.14
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.46
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 145130837
1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
CID 12949055
N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10275331
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
CID 145131118
6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 10201098
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine
CID 143832310
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3917847
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 145131051
4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 145130854

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane (CID 145131091) is 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane is C=C(C)c1c(NCc2cc(OC)ncn2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl.CC.CC.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane?
The InChIKey is RDKRGAURDNMYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2.2C2H6/c1-12(2)18-19(23)16(21(29)28-14-6-4-13(22)5-7-14)10-25-20(18)24-9-15-8-17(30-3)27-11-26-15;2*1-2/h4-8,10-11H,1,9H2,2-3H3,(H,24,25)(H,28,29);2*1-2H3.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane?
4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane has a molecular weight of 504.46 g/mol, XLogP of 7.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 145131091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).