5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

C19H25N3O — CID 109225408

IUPAC5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1cncc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C19H25N3O/c1-5-14(4)21-16-10-15(11-20-12-16)19(23)22-18-9-7-6-8-17(18)13(2)3/h6-14,21H,5H2,1-4H3,(H,22,23)
InChIKeyMBURFDSNHJBCET-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.67
Rot. Bonds6

About 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109225408) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109225408
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1cncc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C19H25N3O/c1-5-14(4)21-16-10-15(11-20-12-16)19(23)22-18-9-7-6-8-17(18)13(2)3/h6-14,21H,5H2,1-4H3,(H,22,23)
InChIKeyMBURFDSNHJBCET-UHFFFAOYSA-N
XLogP4.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109225415
5-(diethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109238915
5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109225394
5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243758
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109234113
5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243776
5-(furan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109231540
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109236679

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109225408) is 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is CCC(C)Nc1cncc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is MBURFDSNHJBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-14(4)21-16-10-15(11-20-12-16)19(23)22-18-9-7-6-8-17(18)13(2)3/h6-14,21H,5H2,1-4H3,(H,22,23).
What are the key properties of 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109225408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).