N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C17H17N5O2 — CID 110021673

IUPACN-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)NCC(O)c3ccncc3)cc2)n1
InChIInChI=1S/C17H17N5O2/c1-22-11-20-16(21-22)13-2-4-14(5-3-13)17(24)19-10-15(23)12-6-8-18-9-7-12/h2-9,11,15,23H,10H2,1H3,(H,19,24)
InChIKeyWCRYKGWZMOJBHI-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.34
Rot. Bonds5

About N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 110021673) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID110021673
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)NCC(O)c3ccncc3)cc2)n1
InChIInChI=1S/C17H17N5O2/c1-22-11-20-16(21-22)13-2-4-14(5-3-13)17(24)19-10-15(23)12-6-8-18-9-7-12/h2-9,11,15,23H,10H2,1H3,(H,19,24)
InChIKeyWCRYKGWZMOJBHI-UHFFFAOYSA-N
XLogP1.34
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020251
N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021549
N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021591
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
CID 95897248
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-1-methylpyrazole-4-carboxamide
CID 71911696
N-(2,2-diethyl-4-hydroxybutyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021503
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 110021673) is N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cn1cnc(-c2ccc(C(=O)NCC(O)c3ccncc3)cc2)n1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is WCRYKGWZMOJBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-11-20-16(21-22)13-2-4-14(5-3-13)17(24)19-10-15(23)12-6-8-18-9-7-12/h2-9,11,15,23H,10H2,1H3,(H,19,24).
What are the key properties of N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 110021673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).