2-amino-N-heptan-2-ylpyridine-3-carboxamide

C13H21N3O — CID 62073629

IUPAC2-amino-N-heptan-2-ylpyridine-3-carboxamide
SMILESCCCCCC(C)NC(=O)c1cccnc1N
InChIInChI=1S/C13H21N3O/c1-3-4-5-7-10(2)16-13(17)11-8-6-9-15-12(11)14/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyXZYFDDJLYATKBE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds6

About 2-amino-N-heptan-2-ylpyridine-3-carboxamide

2-amino-N-heptan-2-ylpyridine-3-carboxamide (PubChem CID 62073629) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-heptan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-heptan-2-ylpyridine-3-carboxamide
PubChem CID62073629
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-heptan-2-ylpyridine-3-carboxamide
SMILESCCCCCC(C)NC(=O)c1cccnc1N
InChIInChI=1S/C13H21N3O/c1-3-4-5-7-10(2)16-13(17)11-8-6-9-15-12(11)14/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyXZYFDDJLYATKBE-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63008606
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide
CID 134017885
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
2-amino-N-(2-methylbutyl)pyridine-3-carboxamide
CID 62692946
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-heptan-2-yl]pyridine-3-carboxamide
CID 29363996

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-heptan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-heptan-2-ylpyridine-3-carboxamide (CID 62073629) is 2-amino-N-heptan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-heptan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-heptan-2-ylpyridine-3-carboxamide is CCCCCC(C)NC(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-heptan-2-ylpyridine-3-carboxamide?
The InChIKey is XZYFDDJLYATKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-5-7-10(2)16-13(17)11-8-6-9-15-12(11)14/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-heptan-2-ylpyridine-3-carboxamide?
2-amino-N-heptan-2-ylpyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-heptan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62073629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).