N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

C17H24N6O — CID 26333850

IUPACN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(c1ncccc1CNC(=O)Cn1cncn1)C1CCCCC1
InChIInChI=1S/C17H24N6O/c1-22(15-7-3-2-4-8-15)17-14(6-5-9-19-17)10-20-16(24)11-23-13-18-12-21-23/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,20,24)
InChIKeyDXBLPGDVTMFQPX-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.76
Rot. Bonds6

About N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 26333850) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID26333850
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(c1ncccc1CNC(=O)Cn1cncn1)C1CCCCC1
InChIInChI=1S/C17H24N6O/c1-22(15-7-3-2-4-8-15)17-14(6-5-9-19-17)10-20-16(24)11-23-13-18-12-21-23/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,20,24)
InChIKeyDXBLPGDVTMFQPX-UHFFFAOYSA-N
XLogP1.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 25311957
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 56739674
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 42189481
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 25296594
(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400
3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine
CID 26398138
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-2-(1,2,4-triazol-1-yl)pyridine
CID 55698193

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 26333850) is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is CN(c1ncccc1CNC(=O)Cn1cncn1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is DXBLPGDVTMFQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22(15-7-3-2-4-8-15)17-14(6-5-9-19-17)10-20-16(24)11-23-13-18-12-21-23/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,20,24).
What are the key properties of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 26333850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).