N-(1-cyanocyclopentyl)quinoline-4-carboxamide

C16H15N3O — CID 112722770

IUPACN-(1-cyanocyclopentyl)quinoline-4-carboxamide
SMILESN#CC1(NC(=O)c2ccnc3ccccc23)CCCC1
InChIInChI=1S/C16H15N3O/c17-11-16(8-3-4-9-16)19-15(20)13-7-10-18-14-6-2-1-5-12(13)14/h1-2,5-7,10H,3-4,8-9H2,(H,19,20)
InChIKeyNWBJHDHWAUBDCV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.80
Rot. Bonds2

About N-(1-cyanocyclopentyl)quinoline-4-carboxamide

N-(1-cyanocyclopentyl)quinoline-4-carboxamide (PubChem CID 112722770) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)quinoline-4-carboxamide
PubChem CID112722770
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(1-cyanocyclopentyl)quinoline-4-carboxamide
SMILESN#CC1(NC(=O)c2ccnc3ccccc23)CCCC1
InChIInChI=1S/C16H15N3O/c17-11-16(8-3-4-9-16)19-15(20)13-7-10-18-14-6-2-1-5-12(13)14/h1-2,5-7,10H,3-4,8-9H2,(H,19,20)
InChIKeyNWBJHDHWAUBDCV-UHFFFAOYSA-N
XLogP2.80
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346
quinoline-4-carbonyl cyanide
CID 119091066
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905
N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
CID 55059760
N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9324842
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
2-chloro-N-(1-cyanocyclobutyl)furan-3-carboxamide
CID 106685763
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)quinoline-4-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)quinoline-4-carboxamide (CID 112722770) is N-(1-cyanocyclopentyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)quinoline-4-carboxamide is N#CC1(NC(=O)c2ccnc3ccccc23)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)quinoline-4-carboxamide?
The InChIKey is NWBJHDHWAUBDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-11-16(8-3-4-9-16)19-15(20)13-7-10-18-14-6-2-1-5-12(13)14/h1-2,5-7,10H,3-4,8-9H2,(H,19,20).
What are the key properties of N-(1-cyanocyclopentyl)quinoline-4-carboxamide?
N-(1-cyanocyclopentyl)quinoline-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)quinoline-4-carboxamide is sourced from PubChem (CID 112722770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).