N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide

C24H30N6O — CID 53203069

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCc2ccccc21)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C24H30N6O/c31-23(25-13-6-15-28-14-5-8-19-7-1-2-9-21(19)28)20-11-17-29(18-12-20)24-27-26-22-10-3-4-16-30(22)24/h1-4,7,9-10,16,20H,5-6,8,11-15,17-18H2,(H,25,31)
InChIKeyYIJDIIWAAHBAJO-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (PubChem CID 53203069) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
PubChem CID53203069
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCc2ccccc21)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C24H30N6O/c31-23(25-13-6-15-28-14-5-8-19-7-1-2-9-21(19)28)20-11-17-29(18-12-20)24-27-26-22-10-3-4-16-30(22)24/h1-4,7,9-10,16,20H,5-6,8,11-15,17-18H2,(H,25,31)
InChIKeyYIJDIIWAAHBAJO-UHFFFAOYSA-N
XLogP2.90
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
N-[3-(N-methylanilino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 83273982
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 53203112
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112000
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522822
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]piperidine-3-carboxamide
CID 125042887
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851186
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 53203046

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (CID 53203069) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is O=C(NCCCN1CCCc2ccccc21)C1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The InChIKey is YIJDIIWAAHBAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c31-23(25-13-6-15-28-14-5-8-19-7-1-2-9-21(19)28)20-11-17-29(18-12-20)24-27-26-22-10-3-4-16-30(22)24/h1-4,7,9-10,16,20H,5-6,8,11-15,17-18H2,(H,25,31).
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53203069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).