N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide

C16H15ClN2O — CID 170994125

IUPACN-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
SMILESO=C(NC1(Cc2ccccc2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C16H15ClN2O/c17-13-6-9-18-14(10-13)15(20)19-16(7-8-16)11-12-4-2-1-3-5-12/h1-6,9-10H,7-8,11H2,(H,19,20)
InChIKeyFFCYQTJLPRUOQS-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.24
Rot. Bonds4

About N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide

N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide (PubChem CID 170994125) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
PubChem CID170994125
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
SMILESO=C(NC1(Cc2ccccc2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C16H15ClN2O/c17-13-6-9-18-14(10-13)15(20)19-16(7-8-16)11-12-4-2-1-3-5-12/h1-6,9-10H,7-8,11H2,(H,19,20)
InChIKeyFFCYQTJLPRUOQS-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804
N-(1-benzylcyclohexyl)pyrazine-2-carboxamide
CID 110661541
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-chloropyridine-2-carboxamide
CID 9488578
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide?
The IUPAC name of N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide (CID 170994125) is N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide is O=C(NC1(Cc2ccccc2)CC1)c1cc(Cl)ccn1.
What is the InChIKey of N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide?
The InChIKey is FFCYQTJLPRUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-6-9-18-14(10-13)15(20)19-16(7-8-16)11-12-4-2-1-3-5-12/h1-6,9-10H,7-8,11H2,(H,19,20).
What are the key properties of N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide?
N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 170994125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).