2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide

C17H21N3O2 — CID 83577781

IUPAC2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2ccc(C)nc2N)cc1
InChIInChI=1S/C17H21N3O2/c1-3-4-11-22-14-8-6-13(7-9-14)20-17(21)15-10-5-12(2)19-16(15)18/h5-10H,3-4,11H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyNVMVQZZJYAXTTJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.40
Rot. Bonds6

About 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide

2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 83577781) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID83577781
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2ccc(C)nc2N)cc1
InChIInChI=1S/C17H21N3O2/c1-3-4-11-22-14-8-6-13(7-9-14)20-17(21)15-10-5-12(2)19-16(15)18/h5-10H,3-4,11H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyNVMVQZZJYAXTTJ-UHFFFAOYSA-N
XLogP3.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830929
N-(4-butoxyphenyl)-2-[[2-[(4-butoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 15165551
N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911364
2-amino-3-methyl-N-(4-propoxyphenyl)benzamide
CID 62329162
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2,4-diethoxy-N-(4-hexoxyphenyl)benzamide
CID 17340669
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
2,4-diethoxy-N-(4-heptoxyphenyl)benzamide
CID 17340675
5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327325
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide (CID 83577781) is 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide is CCCCOc1ccc(NC(=O)c2ccc(C)nc2N)cc1.
What is the InChIKey of 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is NVMVQZZJYAXTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-11-22-14-8-6-13(7-9-14)20-17(21)15-10-5-12(2)19-16(15)18/h5-10H,3-4,11H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide?
2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 83577781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).