4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide

C15H20N6O — CID 167929704

IUPAC4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide
SMILESCN(C)CCn1cnc(NC(=O)c2cc(C3CC3)ccn2)n1
InChIInChI=1S/C15H20N6O/c1-20(2)7-8-21-10-17-15(19-21)18-14(22)13-9-12(5-6-16-13)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,22)
InChIKeyYRGDHPNMTQNIKO-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.36
Rot. Bonds6

About 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide

4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide (PubChem CID 167929704) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide
PubChem CID167929704
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide
SMILESCN(C)CCn1cnc(NC(=O)c2cc(C3CC3)ccn2)n1
InChIInChI=1S/C15H20N6O/c1-20(2)7-8-21-10-17-15(19-21)18-14(22)13-9-12(5-6-16-13)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,22)
InChIKeyYRGDHPNMTQNIKO-UHFFFAOYSA-N
XLogP1.36
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl 3-[(4-cyclopropylpyridine-2-carbonyl)amino]azetidine-1-carboxylate
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N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
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N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
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N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-cyclohexylpyridine-2-carboxamide
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N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
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(Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol
CID 155095946
1-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-N-(1-propyl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide (CID 167929704) is 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide is CN(C)CCn1cnc(NC(=O)c2cc(C3CC3)ccn2)n1.
What is the InChIKey of 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
The InChIKey is YRGDHPNMTQNIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20(2)7-8-21-10-17-15(19-21)18-14(22)13-9-12(5-6-16-13)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,22).
What are the key properties of 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide?
4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167929704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).