4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C20H25N3O — CID 164526127

IUPAC4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(C)Cc1cncc(NC(=O)c2ccc3c(c2)CNCC3C)c1
InChIInChI=1S/C20H25N3O/c1-13(2)6-15-7-18(12-22-10-15)23-20(24)16-4-5-19-14(3)9-21-11-17(19)8-16/h4-5,7-8,10,12-14,21H,6,9,11H2,1-3H3,(H,23,24)
InChIKeyBQSPHYRVJQWLAW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.74
Rot. Bonds4

About 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 164526127) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID164526127
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(C)Cc1cncc(NC(=O)c2ccc3c(c2)CNCC3C)c1
InChIInChI=1S/C20H25N3O/c1-13(2)6-15-7-18(12-22-10-15)23-20(24)16-4-5-19-14(3)9-21-11-17(19)8-16/h4-5,7-8,10,12-14,21H,6,9,11H2,1-3H3,(H,23,24)
InChIKeyBQSPHYRVJQWLAW-UHFFFAOYSA-N
XLogP3.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(5-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 164526266
N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 164526138
(4R)-2-[(2S)-3-amino-2-hydroxy-3-oxopropyl]-4-methyl-N-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164526248
2-(3-amino-3-oxopropyl)-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164526200
5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 20824455
tert-butyl 7-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]carbamoyl]-4-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 164526213
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
4-methyl-N-[3-[[(3S)-3-propan-2-ylpyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 145068677
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
N-[(4R)-4-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 164526190

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 164526127) is 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CC(C)Cc1cncc(NC(=O)c2ccc3c(c2)CNCC3C)c1.
What is the InChIKey of 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is BQSPHYRVJQWLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(2)6-15-7-18(12-22-10-15)23-20(24)16-4-5-19-14(3)9-21-11-17(19)8-16/h4-5,7-8,10,12-14,21H,6,9,11H2,1-3H3,(H,23,24).
What are the key properties of 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 164526127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).