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

C19H21F2N3O — CID 164526138

IUPACN-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCCC(F)(F)c1cncc(NC(=O)c2ccc3c(c2)CNCC3C)c1
InChIInChI=1S/C19H21F2N3O/c1-3-19(20,21)15-7-16(11-23-10-15)24-18(25)13-4-5-17-12(2)8-22-9-14(17)6-13/h4-7,10-12,22H,3,8-9H2,1-2H3,(H,24,25)
InChIKeyPTZMCRCNNJRDET-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.04
Rot. Bonds4

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

N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 164526138) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID164526138
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCCC(F)(F)c1cncc(NC(=O)c2ccc3c(c2)CNCC3C)c1
InChIInChI=1S/C19H21F2N3O/c1-3-19(20,21)15-7-16(11-23-10-15)24-18(25)13-4-5-17-12(2)8-22-9-14(17)6-13/h4-7,10-12,22H,3,8-9H2,1-2H3,(H,24,25)
InChIKeyPTZMCRCNNJRDET-UHFFFAOYSA-N
XLogP4.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(5-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 164526266
4-methyl-N-[5-(2-methylpropyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 164526127
2-(3-amino-3-oxopropyl)-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164526200
tert-butyl 7-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]carbamoyl]-4-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 164526213
N-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-4-methyl-2-(1-methyl-2-oxopiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164526243
tert-butyl 3-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 171744116
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
(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
5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 20824455
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
4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066
N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 130364449

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 164526138) is N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CCC(F)(F)c1cncc(NC(=O)c2ccc3c(c2)CNCC3C)c1.
What is the InChIKey of N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is PTZMCRCNNJRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-3-19(20,21)15-7-16(11-23-10-15)24-18(25)13-4-5-17-12(2)8-22-9-14(17)6-13/h4-7,10-12,22H,3,8-9H2,1-2H3,(H,24,25).
What are the key properties of N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoropropyl)-3-pyridinyl]-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 164526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).