N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide

C16H15ClN2O — CID 113090713

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccnc1
InChIInChI=1S/C16H15ClN2O/c17-14-5-3-13(4-6-14)16(7-8-16)11-19-15(20)12-2-1-9-18-10-12/h1-6,9-10H,7-8,11H2,(H,19,20)
InChIKeyQLCKICYCHZPSNO-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.20
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 113090713) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID113090713
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccnc1
InChIInChI=1S/C16H15ClN2O/c17-14-5-3-13(4-6-14)16(7-8-16)11-19-15(20)12-2-1-9-18-10-12/h1-6,9-10H,7-8,11H2,(H,19,20)
InChIKeyQLCKICYCHZPSNO-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090819
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 171680243
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113084707
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60573524
5-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]pyridine-3-carboxamide
CID 75447154

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 113090713) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccnc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is QLCKICYCHZPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-5-3-13(4-6-14)16(7-8-16)11-19-15(20)12-2-1-9-18-10-12/h1-6,9-10H,7-8,11H2,(H,19,20).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 113090713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).