6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C18H14Cl2N4O — CID 109158193

IUPAC6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-2-1-3-15(17(14)20)24-16-5-4-13(11-22-16)18(25)23-10-12-6-8-21-9-7-12/h1-9,11H,10H2,(H,22,24)(H,23,25)
InChIKeyHTZGNUHXGJDFQD-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109158193) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109158193
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-2-1-3-15(17(14)20)24-16-5-4-13(11-22-16)18(25)23-10-12-6-8-21-9-7-12/h1-9,11H,10H2,(H,22,24)(H,23,25)
InChIKeyHTZGNUHXGJDFQD-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109157003
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163
6-(2-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159947
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
6-anilino-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109162098
N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
CID 109161592
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109157502
methyl 4-chloro-3-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109157989
N-[(2,6-dichlorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778259

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109158193) is 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(Nc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HTZGNUHXGJDFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-2-1-3-15(17(14)20)24-16-5-4-13(11-22-16)18(25)23-10-12-6-8-21-9-7-12/h1-9,11H,10H2,(H,22,24)(H,23,25).
What are the key properties of 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).