N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide

C20H30N6O2 — CID 28809465

IUPACN-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCC(NC(=O)Cc3ccn(C)c3)CC2)nn1
InChIInChI=1S/C20H30N6O2/c1-14(2)11-21-20(28)18-13-26(24-23-18)17-6-4-16(5-7-17)22-19(27)10-15-8-9-25(3)12-15/h8-9,12-14,16-17H,4-7,10-11H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyNWNUHWDHVSKWMQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.85
Rot. Bonds7

About N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide

N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide (PubChem CID 28809465) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
PubChem CID28809465
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCC(NC(=O)Cc3ccn(C)c3)CC2)nn1
InChIInChI=1S/C20H30N6O2/c1-14(2)11-21-20(28)18-13-26(24-23-18)17-6-4-16(5-7-17)22-19(27)10-15-8-9-25(3)12-15/h8-9,12-14,16-17H,4-7,10-11H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyNWNUHWDHVSKWMQ-UHFFFAOYSA-N
XLogP1.85
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
CID 42192714
1-[4-(furan-2-carbonylamino)cyclohexyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42348711
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(2-methylpropyl)-1-[4-[(3,4,5-trimethoxyphenyl)methylamino]cyclohexyl]triazole-4-carboxamide
CID 26347730
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086
1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42382756
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 25306558
1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26326480
1-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26333271
1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42364382
1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide
CID 26350594
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide (CID 28809465) is N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide is CC(C)CNC(=O)c1cn(C2CCC(NC(=O)Cc3ccn(C)c3)CC2)nn1.
What is the InChIKey of N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide?
The InChIKey is NWNUHWDHVSKWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-14(2)11-21-20(28)18-13-26(24-23-18)17-6-4-16(5-7-17)22-19(27)10-15-8-9-25(3)12-15/h8-9,12-14,16-17H,4-7,10-11H2,1-3H3,(H,21,28)(H,22,27).
What are the key properties of N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide?
N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 28809465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).