4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

C18H23N3O2 — CID 109203453

IUPAC4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-4-13(2)21-15-9-10-19-17(11-15)18(22)20-12-14-5-7-16(23-3)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWFFBUPAEZLLPMH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.23
Rot. Bonds7

About 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109203453) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109203453
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-4-13(2)21-15-9-10-19-17(11-15)18(22)20-12-14-5-7-16(23-3)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWFFBUPAEZLLPMH-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109203465
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212161
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202076

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109203453) is 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is CCC(C)Nc1ccnc(C(=O)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is WFFBUPAEZLLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-13(2)21-15-9-10-19-17(11-15)18(22)20-12-14-5-7-16(23-3)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109203453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).