5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C19H18N4O2 — CID 109234998

IUPAC5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-7-5-15(6-8-18)23-17-10-14(11-20-12-17)19(24)22-13-16-4-2-3-9-21-16/h2-12,23H,13H2,1H3,(H,22,24)
InChIKeyGYOMBJKMGIDTQH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.16
Rot. Bonds6

About 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109234998) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109234998
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-7-5-15(6-8-18)23-17-10-14(11-20-12-17)19(24)22-13-16-4-2-3-9-21-16/h2-12,23H,13H2,1H3,(H,22,24)
InChIKeyGYOMBJKMGIDTQH-UHFFFAOYSA-N
XLogP3.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235016
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
N-(4-methoxyphenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235142
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109227845
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109235020
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235057
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109234998) is 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)NCc3ccccn3)c2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GYOMBJKMGIDTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-18-7-5-15(6-8-18)23-17-10-14(11-20-12-17)19(24)22-13-16-4-2-3-9-21-16/h2-12,23H,13H2,1H3,(H,22,24).
What are the key properties of 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).