5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

C18H23N3O2 — CID 109195545

IUPAC5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCC(C)C)nc2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)9-10-19-18(22)17-8-7-15(12-20-17)21-14-5-4-6-16(11-14)23-3/h4-8,11-13,21H,9-10H2,1-3H3,(H,19,22)
InChIKeyZPRLKXTYVCROBX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds7

About 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109195545) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109195545
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCC(C)C)nc2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)9-10-19-18(22)17-8-7-15(12-20-17)21-14-5-4-6-16(11-14)23-3/h4-8,11-13,21H,9-10H2,1-3H3,(H,19,22)
InChIKeyZPRLKXTYVCROBX-UHFFFAOYSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109190476
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192661
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195520
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109195550

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109195545) is 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is COc1cccc(Nc2ccc(C(=O)NCCC(C)C)nc2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is ZPRLKXTYVCROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)9-10-19-18(22)17-8-7-15(12-20-17)21-14-5-4-6-16(11-14)23-3/h4-8,11-13,21H,9-10H2,1-3H3,(H,19,22).
What are the key properties of 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).