(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

C13H9ClF2N4O — CID 161228756

IUPAC(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccnc(Cl)n2)cn1)[C@@H]1CC1(F)F
InChIInChI=1S/C13H9ClF2N4O/c14-12-17-4-3-9(19-12)7-1-2-10(18-6-7)20-11(21)8-5-13(8,15)16/h1-4,6,8H,5H2,(H,18,20,21)/t8-/m0/s1
InChIKeyUYLYAMQEARQZGB-QMMMGPOBSA-N
MW310.69 g/mol
LogP2.79
Rot. Bonds3

About (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 161228756) has the molecular formula C13H9ClF2N4O and a molecular weight of 310.69 g/mol. Its IUPAC name is (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID161228756
Molecular FormulaC13H9ClF2N4O
Molecular Weight310.69 g/mol
Exact Mass310.04
IUPAC Name(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccnc(Cl)n2)cn1)[C@@H]1CC1(F)F
InChIInChI=1S/C13H9ClF2N4O/c14-12-17-4-3-9(19-12)7-1-2-10(18-6-7)20-11(21)8-5-13(8,15)16/h1-4,6,8H,5H2,(H,18,20,21)/t8-/m0/s1
InChIKeyUYLYAMQEARQZGB-QMMMGPOBSA-N
XLogP2.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-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

N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
1-[4-(2-chloropyrimidin-4-yl)-2-fluorophenyl]ethanone
CID 24901971
2,2-difluoro-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144539030
2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 174796862
4-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]-2-chloropyrimidine
CID 123385081
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
(2S)-N-(5-chloro-2-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 155019173
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
3-amino-N-(2-chloropyrimidin-4-yl)cyclopentane-1-carboxamide
CID 116795102
cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 162477281
2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane
CID 169176034

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (CID 161228756) is (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccnc(Cl)n2)cn1)[C@@H]1CC1(F)F.
What is the InChIKey of (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is UYLYAMQEARQZGB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H9ClF2N4O/c14-12-17-4-3-9(19-12)7-1-2-10(18-6-7)20-11(21)8-5-13(8,15)16/h1-4,6,8H,5H2,(H,18,20,21)/t8-/m0/s1.
What are the key properties of (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 310.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 161228756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).