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

C19H18N4O2 — CID 109191251

IUPAC5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3cccnc3)nc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-17-7-4-15(5-8-17)23-16-6-9-18(21-13-16)19(24)22-12-14-3-2-10-20-11-14/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeyOKEHNFOJWVICFX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.16
Rot. Bonds6

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

5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191251) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109191251
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3cccnc3)nc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-17-7-4-15(5-8-17)23-16-6-9-18(21-13-16)19(24)22-12-14-3-2-10-20-11-14/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeyOKEHNFOJWVICFX-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

5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 135186889
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191291
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109191251) is 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)NCc3cccnc3)nc2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is OKEHNFOJWVICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-7-4-15(5-8-17)23-16-6-9-18(21-13-16)19(24)22-12-14-3-2-10-20-11-14/h2-11,13,23H,12H2,1H3,(H,22,24).
What are the key properties of 5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-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-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).