N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H22N4O2 — CID 110003398

IUPACN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)N(C)CC3CCCCC3O)cn12
InChIInChI=1S/C16H22N4O2/c1-11-17-18-15-8-7-13(10-20(11)15)16(22)19(2)9-12-5-3-4-6-14(12)21/h7-8,10,12,14,21H,3-6,9H2,1-2H3
InChIKeyPTQBQOXPKSOTRC-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.66
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 110003398) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID110003398
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)N(C)CC3CCCCC3O)cn12
InChIInChI=1S/C16H22N4O2/c1-11-17-18-15-8-7-13(10-20(11)15)16(22)19(2)9-12-5-3-4-6-14(12)21/h7-8,10,12,14,21H,3-6,9H2,1-2H3
InChIKeyPTQBQOXPKSOTRC-UHFFFAOYSA-N
XLogP1.66
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
CID 119135797
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111471083
4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid
CID 119135807
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
N,3-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 94823990
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110003457
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109400509
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide
CID 110003396
3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110003462
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 110003398) is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)N(C)CC3CCCCC3O)cn12.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is PTQBQOXPKSOTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-17-18-15-8-7-13(10-20(11)15)16(22)19(2)9-12-5-3-4-6-14(12)21/h7-8,10,12,14,21H,3-6,9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 110003398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).