N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide

C9H9ClN2O — CID 78965831

IUPACN-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1cnccc1Cl)C1CC1
InChIInChI=1S/C9H9ClN2O/c10-7-3-4-11-5-8(7)12-9(13)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChIKeyLMZYOMPYZCJWEQ-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.08
Rot. Bonds2

About N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide

N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide (PubChem CID 78965831) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
PubChem CID78965831
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC NameN-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1cnccc1Cl)C1CC1
InChIInChI=1S/C9H9ClN2O/c10-7-3-4-11-5-8(7)12-9(13)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChIKeyLMZYOMPYZCJWEQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 83166662
5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 83167410
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-[4-[(4-chloro-3-pyridinyl)carbamoyl]cyclohexyl]-6-methoxy-1,5-naphthyridine-4-carboxamide
CID 134497899
N-(4-chloro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 83167588
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide
CID 83167857
N-(3-amino-4-pyridinyl)cyclooctanecarboxamide
CID 65019463

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide (CID 78965831) is N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide is O=C(Nc1cnccc1Cl)C1CC1.
What is the InChIKey of N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide?
The InChIKey is LMZYOMPYZCJWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-3-4-11-5-8(7)12-9(13)6-1-2-6/h3-6H,1-2H2,(H,12,13).
What are the key properties of N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide?
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide has a molecular weight of 196.64 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 78965831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).