(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide

C15H18N4O — CID 154795406

IUPAC(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
SMILESN[C@H]1CCN(C(=O)NCc2cccc3ncccc23)C1
InChIInChI=1S/C15H18N4O/c16-12-6-8-19(10-12)15(20)18-9-11-3-1-5-14-13(11)4-2-7-17-14/h1-5,7,12H,6,8-10,16H2,(H,18,20)/t12-/m0/s1
InChIKeyXZEKIBVSMXBSIJ-LBPRGKRZSA-N
MW270.34 g/mol
LogP1.48
Rot. Bonds2

About (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide

(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 154795406) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID154795406
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
SMILESN[C@H]1CCN(C(=O)NCc2cccc3ncccc23)C1
InChIInChI=1S/C15H18N4O/c16-12-6-8-19(10-12)15(20)18-9-11-3-1-5-14-13(11)4-2-7-17-14/h1-5,7,12H,6,8-10,16H2,(H,18,20)/t12-/m0/s1
InChIKeyXZEKIBVSMXBSIJ-LBPRGKRZSA-N
XLogP1.48
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
CID 111443887
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide
CID 157014449
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 46241195
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
CID 42521399

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide (CID 154795406) is (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide is N[C@H]1CCN(C(=O)NCc2cccc3ncccc23)C1.
What is the InChIKey of (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is XZEKIBVSMXBSIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O/c16-12-6-8-19(10-12)15(20)18-9-11-3-1-5-14-13(11)4-2-7-17-14/h1-5,7,12H,6,8-10,16H2,(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide?
(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154795406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).