N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C25H21ClN4O2 — CID 10275331

IUPACN-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc(NCc3ccncc3)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H21ClN4O2/c1-32-22-8-2-18(3-9-22)19-14-23(25(31)30-21-6-4-20(26)5-7-21)24(29-16-19)28-15-17-10-12-27-13-11-17/h2-14,16H,15H2,1H3,(H,28,29)(H,30,31)
InChIKeyDROLXAIBBJVFAX-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.67
Rot. Bonds7

About N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10275331) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10275331
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC NameN-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc(NCc3ccncc3)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H21ClN4O2/c1-32-22-8-2-18(3-9-22)19-14-23(25(31)30-21-6-4-20(26)5-7-21)24(29-16-19)28-15-17-10-12-27-13-11-17/h2-14,16H,15H2,1H3,(H,28,29)(H,30,31)
InChIKeyDROLXAIBBJVFAX-UHFFFAOYSA-N
XLogP5.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10275331) is N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is COc1ccc(-c2cnc(NCc3ccncc3)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is DROLXAIBBJVFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-32-22-8-2-18(3-9-22)19-14-23(25(31)30-21-6-4-20(26)5-7-21)24(29-16-19)28-15-17-10-12-27-13-11-17/h2-14,16H,15H2,1H3,(H,28,29)(H,30,31).
What are the key properties of N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10275331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).