2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide

C10H13ClN2O — CID 81405185

IUPAC2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESCC(Cl)C(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C10H13ClN2O/c1-7(11)10(14)13-8(2)9-4-3-5-12-6-9/h3-8H,1-2H3,(H,13,14)/t7?,8-/m1/s1
InChIKeyQUHWVQFYUYFWCC-BRFYHDHCSA-N
MW212.68 g/mol
LogP1.89
Rot. Bonds3

About 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide

2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide (PubChem CID 81405185) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
PubChem CID81405185
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESCC(Cl)C(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C10H13ClN2O/c1-7(11)10(14)13-8(2)9-4-3-5-12-6-9/h3-8H,1-2H3,(H,13,14)/t7?,8-/m1/s1
InChIKeyQUHWVQFYUYFWCC-BRFYHDHCSA-N
XLogP1.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide
CID 62225327
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide (CID 81405185) is 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide is CC(Cl)C(=O)N[C@H](C)c1cccnc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is QUHWVQFYUYFWCC-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(11)10(14)13-8(2)9-4-3-5-12-6-9/h3-8H,1-2H3,(H,13,14)/t7?,8-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 212.68 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 81405185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).