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

C19H18N4O2 — CID 109191536

IUPAC5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccncc3)nc2)c1
InChIInChI=1S/C19H18N4O2/c1-25-17-4-2-3-15(11-17)23-16-5-6-18(21-13-16)19(24)22-12-14-7-9-20-10-8-14/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeyRXZHMXCVBNQRIY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.16
Rot. Bonds6

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

5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191536) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109191536
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccncc3)nc2)c1
InChIInChI=1S/C19H18N4O2/c1-25-17-4-2-3-15(11-17)23-16-5-6-18(21-13-16)19(24)22-12-14-7-9-20-10-8-14/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeyRXZHMXCVBNQRIY-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-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451
5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191483
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533
5-(2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191540

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109191536) is 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is COc1cccc(Nc2ccc(C(=O)NCc3ccncc3)nc2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is RXZHMXCVBNQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-4-2-3-15(11-17)23-16-5-6-18(21-13-16)19(24)22-12-14-7-9-20-10-8-14/h2-11,13,23H,12H2,1H3,(H,22,24).
What are the key properties of 5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-(3-methoxyanilino)-N-(pyridin-4-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-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).