N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H24N4O — CID 47048730

IUPACN-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N4O/c25-20(24-12-8-16-5-1-2-6-17(16)15-24)22-18-9-13-23(14-10-18)19-7-3-4-11-21-19/h1-7,11,18H,8-10,12-15H2,(H,22,25)
InChIKeyYZTIMZGYMALIGU-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.82
Rot. Bonds2

About N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 47048730) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID47048730
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N4O/c25-20(24-12-8-16-5-1-2-6-17(16)15-24)22-18-9-13-23(14-10-18)19-7-3-4-11-21-19/h1-7,11,18H,8-10,12-15H2,(H,22,25)
InChIKeyYZTIMZGYMALIGU-UHFFFAOYSA-N
XLogP2.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 8596893
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119854490
N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 22580782
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108505977
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
4-(4-fluorophenyl)sulfonyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,4-diazepane-1-carboxamide
CID 55808741
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 47048730) is N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NC1CCN(c2ccccn2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is YZTIMZGYMALIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(24-12-8-16-5-1-2-6-17(16)15-24)22-18-9-13-23(14-10-18)19-7-3-4-11-21-19/h1-7,11,18H,8-10,12-15H2,(H,22,25).
What are the key properties of N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 47048730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).