2-amino-4-pyridin-2-ylbutanamide

C9H13N3O — CID 64990711

IUPAC2-amino-4-pyridin-2-ylbutanamide
SMILESNC(=O)C(N)CCc1ccccn1
InChIInChI=1S/C9H13N3O/c10-8(9(11)13)5-4-7-3-1-2-6-12-7/h1-3,6,8H,4-5,10H2,(H2,11,13)
InChIKeyHKTOSCKDVUIAAS-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.17
Rot. Bonds4

About 2-amino-4-pyridin-2-ylbutanamide

2-amino-4-pyridin-2-ylbutanamide (PubChem CID 64990711) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-4-pyridin-2-ylbutanamide
PubChem CID64990711
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-4-pyridin-2-ylbutanamide
SMILESNC(=O)C(N)CCc1ccccn1
InChIInChI=1S/C9H13N3O/c10-8(9(11)13)5-4-7-3-1-2-6-12-7/h1-3,6,8H,4-5,10H2,(H2,11,13)
InChIKeyHKTOSCKDVUIAAS-UHFFFAOYSA-N
XLogP-0.17
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-pyridin-2-ylethyl (2S)-2,6-diaminohexanoate
CID 139942518
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pyridin-2-ylbutanamide?
The IUPAC name of 2-amino-4-pyridin-2-ylbutanamide (CID 64990711) is 2-amino-4-pyridin-2-ylbutanamide.
What is the SMILES notation for 2-amino-4-pyridin-2-ylbutanamide?
The canonical SMILES for 2-amino-4-pyridin-2-ylbutanamide is NC(=O)C(N)CCc1ccccn1.
What is the InChIKey of 2-amino-4-pyridin-2-ylbutanamide?
The InChIKey is HKTOSCKDVUIAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-8(9(11)13)5-4-7-3-1-2-6-12-7/h1-3,6,8H,4-5,10H2,(H2,11,13).
What are the key properties of 2-amino-4-pyridin-2-ylbutanamide?
2-amino-4-pyridin-2-ylbutanamide has a molecular weight of 179.22 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 64990711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).