6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide

C19H23N7O — CID 91947442

IUPAC6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2nnc3ccccn23)nc(N2CCCCC2)n1
InChIInChI=1S/C19H23N7O/c1-14-13-15(22-19(21-14)25-10-4-2-5-11-25)18(27)20-9-8-17-24-23-16-7-3-6-12-26(16)17/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,20,27)
InChIKeyLFVBCCIGIBJAEN-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.79
Rot. Bonds5

About 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide

6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 91947442) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID91947442
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2nnc3ccccn23)nc(N2CCCCC2)n1
InChIInChI=1S/C19H23N7O/c1-14-13-15(22-19(21-14)25-10-4-2-5-11-25)18(27)20-9-8-17-24-23-16-7-3-6-12-26(16)17/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,20,27)
InChIKeyLFVBCCIGIBJAEN-UHFFFAOYSA-N
XLogP1.79
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330747
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-3-carboxamide
CID 96557373
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322327
2-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109334319
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321614
3-nitro-4-pyrrolidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 27161868
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029
3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 46671326
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide (CID 91947442) is 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2nnc3ccccn23)nc(N2CCCCC2)n1.
What is the InChIKey of 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is LFVBCCIGIBJAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-13-15(22-19(21-14)25-10-4-2-5-11-25)18(27)20-9-8-17-24-23-16-7-3-6-12-26(16)17/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,20,27).
What are the key properties of 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide?
6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91947442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).