3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide

C19H23N7O — CID 124616754

IUPAC3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESC[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1
InChIInChI=1S/C19H23N7O/c1-13(14-3-7-20-8-4-14)26-9-5-16(6-10-26)22-19(27)15-11-17-18(21-12-15)25(2)24-23-17/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H,22,27)/t13-/m0/s1
InChIKeyBREJNBLULVXEIV-ZDUSSCGKSA-N
MW365.44 g/mol
LogP1.71
Rot. Bonds4

About 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 124616754) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID124616754
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESC[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1
InChIInChI=1S/C19H23N7O/c1-13(14-3-7-20-8-4-14)26-9-5-16(6-10-26)22-19(27)15-11-17-18(21-12-15)25(2)24-23-17/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H,22,27)/t13-/m0/s1
InChIKeyBREJNBLULVXEIV-ZDUSSCGKSA-N
XLogP1.71
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 99701439
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 124591554
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 128876709
3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 70705407
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51091043
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119041844
(2R,5S)-2,5-dimethyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 124777293

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide (CID 124616754) is 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide is C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1.
What is the InChIKey of 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is BREJNBLULVXEIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13(14-3-7-20-8-4-14)26-9-5-16(6-10-26)22-19(27)15-11-17-18(21-12-15)25(2)24-23-17/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H,22,27)/t13-/m0/s1.
What are the key properties of 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 124616754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).