3-amino-N-(2-methyl-3-pyridinyl)propanamide

C9H13N3O — CID 79042008

IUPAC3-amino-N-(2-methyl-3-pyridinyl)propanamide
SMILESCc1ncccc1NC(=O)CCN
InChIInChI=1S/C9H13N3O/c1-7-8(3-2-6-11-7)12-9(13)4-5-10/h2-3,6H,4-5,10H2,1H3,(H,12,13)
InChIKeyQUMVTLYSIURHPJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-N-(2-methyl-3-pyridinyl)propanamide

3-amino-N-(2-methyl-3-pyridinyl)propanamide (PubChem CID 79042008) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-pyridinyl)propanamide
PubChem CID79042008
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-amino-N-(2-methyl-3-pyridinyl)propanamide
SMILESCc1ncccc1NC(=O)CCN
InChIInChI=1S/C9H13N3O/c1-7-8(3-2-6-11-7)12-9(13)4-5-10/h2-3,6H,4-5,10H2,1H3,(H,12,13)
InChIKeyQUMVTLYSIURHPJ-UHFFFAOYSA-N
XLogP0.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-5-methyl-N-(2-methyl-3-pyridinyl)hexanamide
CID 79043202
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
2-(2-aminoethoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79478921
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
3-amino-N-(2,5-dimethyl-3-pyridinyl)propanamide
CID 164657308
2-(cyclopropylamino)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043374
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
2-(2-aminophenoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79042181
2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 79041968
2-(3-hydroxyphenyl)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043394

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-pyridinyl)propanamide?
The IUPAC name of 3-amino-N-(2-methyl-3-pyridinyl)propanamide (CID 79042008) is 3-amino-N-(2-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-amino-N-(2-methyl-3-pyridinyl)propanamide is Cc1ncccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-methyl-3-pyridinyl)propanamide?
The InChIKey is QUMVTLYSIURHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-8(3-2-6-11-7)12-9(13)4-5-10/h2-3,6H,4-5,10H2,1H3,(H,12,13).
What are the key properties of 3-amino-N-(2-methyl-3-pyridinyl)propanamide?
3-amino-N-(2-methyl-3-pyridinyl)propanamide has a molecular weight of 179.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 79042008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).