N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C20H22N6O — CID 70727512

IUPACN-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCN(CC1Cc2ccccc2CN1C)C(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C20H22N6O/c1-24-11-17-6-4-3-5-15(17)9-18(24)12-25(2)20(27)16-7-8-19(21-10-16)26-13-22-23-14-26/h3-8,10,13-14,18H,9,11-12H2,1-2H3
InChIKeyBWBUWRVBVOUHTN-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 70727512) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID70727512
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCN(CC1Cc2ccccc2CN1C)C(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C20H22N6O/c1-24-11-17-6-4-3-5-15(17)9-18(24)12-25(2)20(27)16-7-8-19(21-10-16)26-13-22-23-14-26/h3-8,10,13-14,18H,9,11-12H2,1-2H3
InChIKeyBWBUWRVBVOUHTN-UHFFFAOYSA-N
XLogP1.79
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 95136046
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]quinoxaline-6-carboxamide
CID 70785842
N,1-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]indole-6-carboxamide
CID 70725270
2-(dimethylamino)-N,4-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 70723221
2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide
CID 96573603
N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 95047368
N-methyl-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952773
N,1-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398947
N,1-dimethyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398948
N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124853333
N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97146560
2-(1H-imidazol-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]benzamide
CID 56919155

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 70727512) is N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is CN(CC1Cc2ccccc2CN1C)C(=O)c1ccc(-n2cnnc2)nc1.
What is the InChIKey of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is BWBUWRVBVOUHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24-11-17-6-4-3-5-15(17)9-18(24)12-25(2)20(27)16-7-8-19(21-10-16)26-13-22-23-14-26/h3-8,10,13-14,18H,9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 70727512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).