N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide

C16H19N3O — CID 106121586

IUPACN-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
SMILESNC1CCC(CNC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O/c17-13-7-5-11(9-13)10-18-16(20)15-8-6-12-3-1-2-4-14(12)19-15/h1-4,6,8,11,13H,5,7,9-10,17H2,(H,18,20)
InChIKeyWWKISLKADWKUQU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.09
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide

N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide (PubChem CID 106121586) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
PubChem CID106121586
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
SMILESNC1CCC(CNC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O/c17-13-7-5-11(9-13)10-18-16(20)15-8-6-12-3-1-2-4-14(12)19-15/h1-4,6,8,11,13H,5,7,9-10,17H2,(H,18,20)
InChIKeyWWKISLKADWKUQU-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
CID 134794500
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
CID 69308413
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
CID 131945303
N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-(2-aminocyclopentyl)quinoline-2-carboxamide
CID 63251270

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide (CID 106121586) is N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide is NC1CCC(CNC(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide?
The InChIKey is WWKISLKADWKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-13-7-5-11(9-13)10-18-16(20)15-8-6-12-3-1-2-4-14(12)19-15/h1-4,6,8,11,13H,5,7,9-10,17H2,(H,18,20).
What are the key properties of N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide?
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 106121586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).