(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide

C9H13N3O — CID 59361167

IUPAC(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
SMILESCN[C@@H](C)C(=O)Nc1ccncc1
InChIInChI=1S/C9H13N3O/c1-7(10-2)9(13)12-8-3-5-11-6-4-8/h3-7,10H,1-2H3,(H,11,12,13)/t7-/m0/s1
InChIKeyZQVJKSGUEYJHJG-ZETCQYMHSA-N
MW179.22 g/mol
LogP0.63
Rot. Bonds3

About (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide

(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide (PubChem CID 59361167) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
PubChem CID59361167
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
SMILESCN[C@@H](C)C(=O)Nc1ccncc1
InChIInChI=1S/C9H13N3O/c1-7(10-2)9(13)12-8-3-5-11-6-4-8/h3-7,10H,1-2H3,(H,11,12,13)/t7-/m0/s1
InChIKeyZQVJKSGUEYJHJG-ZETCQYMHSA-N
XLogP0.63
TPSA54.02 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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid
CID 114898162
2-amino-N-(4-pyridin-4-ylphenyl)propanamide
CID 110460098
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
2-cyano-3-methyl-N-pyridin-4-ylbutanamide
CID 55206630
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
CID 62637660
N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 17467528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide (CID 59361167) is (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide is CN[C@@H](C)C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide?
The InChIKey is ZQVJKSGUEYJHJG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(10-2)9(13)12-8-3-5-11-6-4-8/h3-7,10H,1-2H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide?
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide has a molecular weight of 179.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 59361167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).