5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide

C24H27N3O2 — CID 109195683

IUPAC5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H27N3O2/c1-18(2)14-15-25-21-10-13-23(26-16-21)24(28)27-20-8-11-22(12-9-20)29-17-19-6-4-3-5-7-19/h3-13,16,18,25H,14-15,17H2,1-2H3,(H,27,28)
InChIKeyCOULTBSGQDXRPN-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.37
Rot. Bonds9

About 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide

5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109195683) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
PubChem CID109195683
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H27N3O2/c1-18(2)14-15-25-21-10-13-23(26-16-21)24(28)27-20-8-11-22(12-9-20)29-17-19-6-4-3-5-7-19/h3-13,16,18,25H,14-15,17H2,1-2H3,(H,27,28)
InChIKeyCOULTBSGQDXRPN-UHFFFAOYSA-N
XLogP5.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263593
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195704
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109205989
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide (CID 109195683) is 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is COULTBSGQDXRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(2)14-15-25-21-10-13-23(26-16-21)24(28)27-20-8-11-22(12-9-20)29-17-19-6-4-3-5-7-19/h3-13,16,18,25H,14-15,17H2,1-2H3,(H,27,28).
What are the key properties of 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).