2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

C19H21N5O2 — CID 70890690

IUPAC2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ncn[nH]3)cc(C(C)(C)O)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-4-6-13(7-5-12)15-8-14(9-16(23-15)19(2,3)26)18(25)20-10-17-21-11-22-24-17/h4-9,11,26H,10H2,1-3H3,(H,20,25)(H,21,22,24)
InChIKeyRPJGBRXXLAOXJV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.33
Rot. Bonds5

About 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 70890690) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID70890690
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ncn[nH]3)cc(C(C)(C)O)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-4-6-13(7-5-12)15-8-14(9-16(23-15)19(2,3)26)18(25)20-10-17-21-11-22-24-17/h4-9,11,26H,10H2,1-3H3,(H,20,25)(H,21,22,24)
InChIKeyRPJGBRXXLAOXJV-UHFFFAOYSA-N
XLogP2.33
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
3-iodo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60983434
1-tert-butyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-carboxamide
CID 132968619
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796
5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
4-chloro-3-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982539
4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382
3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 126468209

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (CID 70890690) is 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ncn[nH]3)cc(C(C)(C)O)n2)cc1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is RPJGBRXXLAOXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-4-6-13(7-5-12)15-8-14(9-16(23-15)19(2,3)26)18(25)20-10-17-21-11-22-24-17/h4-9,11,26H,10H2,1-3H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 70890690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).