N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride

C20H26Cl2N4O — CID 119854490

IUPACN-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2ccccn2)CC1)C1Cc2ccccc2CN1
InChIInChI=1S/C20H24N4O.2ClH/c25-20(18-13-15-5-1-2-6-16(15)14-22-18)23-17-8-11-24(12-9-17)19-7-3-4-10-21-19;;/h1-7,10,17-18,22H,8-9,11-14H2,(H,23,25);2*1H
InChIKeySOWKSTBCTFARQH-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.72
Rot. Bonds3

About N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride

N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (PubChem CID 119854490) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
PubChem CID119854490
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC NameN-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2ccccn2)CC1)C1Cc2ccccc2CN1
InChIInChI=1S/C20H24N4O.2ClH/c25-20(18-13-15-5-1-2-6-16(15)14-22-18)23-17-8-11-24(12-9-17)19-7-3-4-10-21-19;;/h1-7,10,17-18,22H,8-9,11-14H2,(H,23,25);2*1H
InChIKeySOWKSTBCTFARQH-UHFFFAOYSA-N
XLogP2.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854534
(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671
N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
CID 82906568
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119853482
N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
CID 40870441
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106187443
N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47048730
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (CID 119854490) is N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(c2ccccn2)CC1)C1Cc2ccccc2CN1.
What is the InChIKey of N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The InChIKey is SOWKSTBCTFARQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.2ClH/c25-20(18-13-15-5-1-2-6-16(15)14-22-18)23-17-8-11-24(12-9-17)19-7-3-4-10-21-19;;/h1-7,10,17-18,22H,8-9,11-14H2,(H,23,25);2*1H.
What are the key properties of N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119854490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).