4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C20H17Cl2N5O — CID 145130837

IUPAC4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NCc2cccnc2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C20H17Cl2N5O/c1-12(23)17-18(22)16(20(28)27-15-6-4-14(21)5-7-15)11-26-19(17)25-10-13-3-2-8-24-9-13/h2-9,11,23H,10H2,1H3,(H,25,26)(H,27,28)/b23-12+
InChIKeyJHYUUOLFRZEPBN-FSJBWODESA-N
MW414.30 g/mol
LogP5.04
Rot. Bonds6

About 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 145130837) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID145130837
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NCc2cccnc2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C20H17Cl2N5O/c1-12(23)17-18(22)16(20(28)27-15-6-4-14(21)5-7-15)11-26-19(17)25-10-13-3-2-8-24-9-13/h2-9,11,23H,10H2,1H3,(H,25,26)(H,27,28)/b23-12+
InChIKeyJHYUUOLFRZEPBN-FSJBWODESA-N
XLogP5.04
TPSA90.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
CID 145131118
6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 145131074
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
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N-(4-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063211
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane
CID 145131091
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 145130837) is 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is [H]/N=C(\C)c1c(NCc2cccnc2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is JHYUUOLFRZEPBN-FSJBWODESA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c1-12(23)17-18(22)16(20(28)27-15-6-4-14(21)5-7-15)11-26-19(17)25-10-13-3-2-8-24-9-13/h2-9,11,23H,10H2,1H3,(H,25,26)(H,27,28)/b23-12+.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 145130837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).