1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide

C14H20N6O — CID 120643132

IUPAC1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C14H20N6O/c1-19-9-3-4-11(19)13(21)17-14-16-12(18-20(14)2)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,17,18,21)
InChIKeyQWYTYNUVLUPCAD-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds3

About 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide

1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide (PubChem CID 120643132) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
PubChem CID120643132
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C14H20N6O/c1-19-9-3-4-11(19)13(21)17-14-16-12(18-20(14)2)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,17,18,21)
InChIKeyQWYTYNUVLUPCAD-UHFFFAOYSA-N
XLogP0.87
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide
CID 120642005
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 120641655
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
5-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120644464
3-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120641981
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
4-(difluoromethylsulfanyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643906
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide (CID 120643132) is 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is QWYTYNUVLUPCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-9-3-4-11(19)13(21)17-14-16-12(18-20(14)2)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,17,18,21).
What are the key properties of 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide?
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 120643132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).