(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide

C9H9ClN2O — CID 175507768

IUPAC(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1CC1c1cc(Cl)ccn1
InChIInChI=1S/C9H9ClN2O/c10-5-1-2-12-8(3-5)6-4-7(6)9(11)13/h1-3,6-7H,4H2,(H2,11,13)/t6?,7-/m0/s1
InChIKeyXPILSRYTVBWXSM-MLWJPKLSSA-N
MW196.64 g/mol
LogP1.32
Rot. Bonds2

About (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide

(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 175507768) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID175507768
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1CC1c1cc(Cl)ccn1
InChIInChI=1S/C9H9ClN2O/c10-5-1-2-12-8(3-5)6-4-7(6)9(11)13/h1-3,6-7H,4H2,(H2,11,13)/t6?,7-/m0/s1
InChIKeyXPILSRYTVBWXSM-MLWJPKLSSA-N
XLogP1.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693888
(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171758660
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 175483462
trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide
CID 171758399
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
trans-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropane-1-carboxamide
CID 95860606
trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693913
trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide
CID 167228817

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide (CID 175507768) is (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide is NC(=O)[C@H]1CC1c1cc(Cl)ccn1.
What is the InChIKey of (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is XPILSRYTVBWXSM-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-5-1-2-12-8(3-5)6-4-7(6)9(11)13/h1-3,6-7H,4H2,(H2,11,13)/t6?,7-/m0/s1.
What are the key properties of (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 196.64 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175507768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).