N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide

C19H23N3O — CID 69308413

IUPACN-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN1C1CCC1)c1ccc2ccccc2n1
InChIInChI=1S/C19H23N3O/c23-19(18-11-10-14-5-1-2-9-17(14)21-18)20-13-16-8-4-12-22(16)15-6-3-7-15/h1-2,5,9-11,15-16H,3-4,6-8,12-13H2,(H,20,23)/t16-/m0/s1
InChIKeyVADCMXAMCBAPPQ-INIZCTEOSA-N
MW309.41 g/mol
LogP2.98
Rot. Bonds4

About N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide

N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide (PubChem CID 69308413) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
PubChem CID69308413
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN1C1CCC1)c1ccc2ccccc2n1
InChIInChI=1S/C19H23N3O/c23-19(18-11-10-14-5-1-2-9-17(14)21-18)20-13-16-8-4-12-22(16)15-6-3-7-15/h1-2,5,9-11,15-16H,3-4,6-8,12-13H2,(H,20,23)/t16-/m0/s1
InChIKeyVADCMXAMCBAPPQ-INIZCTEOSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
CID 134794500
N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 128576324
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide (CID 69308413) is N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide is O=C(NC[C@@H]1CCCN1C1CCC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide?
The InChIKey is VADCMXAMCBAPPQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(18-11-10-14-5-1-2-9-17(14)21-18)20-13-16-8-4-12-22(16)15-6-3-7-15/h1-2,5,9-11,15-16H,3-4,6-8,12-13H2,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide?
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 69308413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).