2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

C21H24N4O2 — CID 87020230

IUPAC2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3ccnc(N4CCCCC4)c3)ccc2N1
InChIInChI=1S/C21H24N4O2/c26-20-7-5-16-13-17(4-6-18(16)24-20)21(27)23-14-15-8-9-22-19(12-15)25-10-2-1-3-11-25/h4,6,8-9,12-13H,1-3,5,7,10-11,14H2,(H,23,27)(H,24,26)
InChIKeyWDPVWAUGEBBQAC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.89
Rot. Bonds4

About 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 87020230) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID87020230
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3ccnc(N4CCCCC4)c3)ccc2N1
InChIInChI=1S/C21H24N4O2/c26-20-7-5-16-13-17(4-6-18(16)24-20)21(27)23-14-15-8-9-22-19(12-15)25-10-2-1-3-11-25/h4,6,8-9,12-13H,1-3,5,7,10-11,14H2,(H,23,27)(H,24,26)
InChIKeyWDPVWAUGEBBQAC-UHFFFAOYSA-N
XLogP2.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 154833370
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732
4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56545956
4-bromo-N-[2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoylamino]ethyl]benzamide
CID 60544339
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
2-oxo-N-(5-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78878186
N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46494287

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (CID 87020230) is 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NCc3ccnc(N4CCCCC4)c3)ccc2N1.
What is the InChIKey of 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is WDPVWAUGEBBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-7-5-16-13-17(4-6-18(16)24-20)21(27)23-14-15-8-9-22-19(12-15)25-10-2-1-3-11-25/h4,6,8-9,12-13H,1-3,5,7,10-11,14H2,(H,23,27)(H,24,26).
What are the key properties of 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 87020230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).