N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide

C13H21N3O — CID 67292667

IUPACN-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide
SMILESCCC(C)[C@H](N)CNC(=O)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-10(2)12(14)9-16-13(17)8-11-4-6-15-7-5-11/h4-7,10,12H,3,8-9,14H2,1-2H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyIATVUVLLQUVIEP-TVKKRMFBSA-N
MW235.33 g/mol
LogP1.11
Rot. Bonds6

About N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide

N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide (PubChem CID 67292667) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide
PubChem CID67292667
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide
SMILESCCC(C)[C@H](N)CNC(=O)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-10(2)12(14)9-16-13(17)8-11-4-6-15-7-5-11/h4-7,10,12H,3,8-9,14H2,1-2H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyIATVUVLLQUVIEP-TVKKRMFBSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-amino-3-methylpentyl]-3-(pyridin-4-ylmethyl)urea
CID 68747960
N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
CID 122136270
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
methyl 2-methyl-3-oxo-4-pyridin-4-ylbutanoate
CID 62551773
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
3-methyl-2-[[2-(pyridin-4-ylmethylsulfanyl)acetyl]amino]pentanamide
CID 87044822

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide (CID 67292667) is N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide is CCC(C)[C@H](N)CNC(=O)Cc1ccncc1.
What is the InChIKey of N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide?
The InChIKey is IATVUVLLQUVIEP-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10(2)12(14)9-16-13(17)8-11-4-6-15-7-5-11/h4-7,10,12H,3,8-9,14H2,1-2H3,(H,16,17)/t10?,12-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide?
N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 67292667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).