2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C12H19N3O — CID 81407440

IUPAC2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCC(C)NCC(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-9(2)14-8-12(16)15-10(3)11-6-4-5-7-13-11/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyZIJOLWXGOCLZLA-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.26
Rot. Bonds5

About 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 81407440) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID81407440
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESCC(C)NCC(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-9(2)14-8-12(16)15-10(3)11-6-4-5-7-13-11/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyZIJOLWXGOCLZLA-SNVBAGLBSA-N
XLogP1.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
N-(2-methylpropyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406744
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 81407440) is 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is CC(C)NCC(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is ZIJOLWXGOCLZLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)14-8-12(16)15-10(3)11-6-4-5-7-13-11/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 81407440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).