4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide

C22H26N6O3 — CID 166835227

IUPAC4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)NC2CCC(C(=O)Nc3ccc4nncn4c3)CC2)cc1
InChIInChI=1S/C22H26N6O3/c1-31-19-9-2-15(3-10-19)12-23-22(30)26-17-6-4-16(5-7-17)21(29)25-18-8-11-20-27-24-14-28(20)13-18/h2-3,8-11,13-14,16-17H,4-7,12H2,1H3,(H,25,29)(H2,23,26,30)
InChIKeyLFIXTBWXEZPLLX-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.73
Rot. Bonds6

About 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide

4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide (PubChem CID 166835227) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
PubChem CID166835227
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)NC2CCC(C(=O)Nc3ccc4nncn4c3)CC2)cc1
InChIInChI=1S/C22H26N6O3/c1-31-19-9-2-15(3-10-19)12-23-22(30)26-17-6-4-16(5-7-17)21(29)25-18-8-11-20-27-24-14-28(20)13-18/h2-3,8-11,13-14,16-17H,4-7,12H2,1H3,(H,25,29)(H2,23,26,30)
InChIKeyLFIXTBWXEZPLLX-UHFFFAOYSA-N
XLogP2.73
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-7-yl)cyclohexane-1-carboxamide
CID 166835259
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-[(4-methoxyphenyl)methyl]benzamide
CID 53146004
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
CID 166706454
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
1-[(4-methoxyphenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]urea
CID 166834877

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide (CID 166835227) is 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide is COc1ccc(CNC(=O)NC2CCC(C(=O)Nc3ccc4nncn4c3)CC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide?
The InChIKey is LFIXTBWXEZPLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-31-19-9-2-15(3-10-19)12-23-22(30)26-17-6-4-16(5-7-17)21(29)25-18-8-11-20-27-24-14-28(20)13-18/h2-3,8-11,13-14,16-17H,4-7,12H2,1H3,(H,25,29)(H2,23,26,30).
What are the key properties of 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide?
4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylcarbamoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166835227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).