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

C19H17ClN4O2 — CID 109235708

IUPACN-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-26-18-3-2-15(9-17(18)20)24-19(25)14-8-16(12-22-11-14)23-10-13-4-6-21-7-5-13/h2-9,11-12,23H,10H2,1H3,(H,24,25)
InChIKeyAIIBHIJUWGYVRU-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235708) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235708
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-26-18-3-2-15(9-17(18)20)24-19(25)14-8-16(12-22-11-14)23-10-13-4-6-21-7-5-13/h2-9,11-12,23H,10H2,1H3,(H,24,25)
InChIKeyAIIBHIJUWGYVRU-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109235708) is N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is AIIBHIJUWGYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-18-3-2-15(9-17(18)20)24-19(25)14-8-16(12-22-11-14)23-10-13-4-6-21-7-5-13/h2-9,11-12,23H,10H2,1H3,(H,24,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).