3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide

C13H21N3O — CID 105070428

IUPAC3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ccncc1N
InChIInChI=1S/C13H21N3O/c1-4-13(5-2,6-3)16-12(17)10-7-8-15-9-11(10)14/h7-9H,4-6,14H2,1-3H3,(H,16,17)
InChIKeySMOZDDOQVFJUNA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds5

About 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide

3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide (PubChem CID 105070428) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
PubChem CID105070428
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1ccncc1N
InChIInChI=1S/C13H21N3O/c1-4-13(5-2,6-3)16-12(17)10-7-8-15-9-11(10)14/h7-9H,4-6,14H2,1-3H3,(H,16,17)
InChIKeySMOZDDOQVFJUNA-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-amino-N-pentylpyridine-4-carboxamide
CID 105067833
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methoxypyridine-4-carboxamide
CID 114010911
N-[3-(bromomethyl)pentan-3-yl]-3-methoxypyridine-4-carboxamide
CID 105064569
3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 114131562
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
3-amino-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 105071254
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071212
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606
3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 105069782

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide (CID 105070428) is 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide is CCC(CC)(CC)NC(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
The InChIKey is SMOZDDOQVFJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(5-2,6-3)16-12(17)10-7-8-15-9-11(10)14/h7-9H,4-6,14H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105070428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).