1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea

C21H30N6O — CID 166288440

IUPAC1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
SMILESO=C(NC1CCC(c2ncn[nH]2)CC1)NC(Cc1cccnc1)C1CCCC1
InChIInChI=1S/C21H30N6O/c28-21(25-18-9-7-17(8-10-18)20-23-14-24-27-20)26-19(16-5-1-2-6-16)12-15-4-3-11-22-13-15/h3-4,11,13-14,16-19H,1-2,5-10,12H2,(H,23,24,27)(H2,25,26,28)
InChIKeyUAZAPCYVHFWOOL-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.33
Rot. Bonds6

About 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea

1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea (PubChem CID 166288440) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
PubChem CID166288440
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
SMILESO=C(NC1CCC(c2ncn[nH]2)CC1)NC(Cc1cccnc1)C1CCCC1
InChIInChI=1S/C21H30N6O/c28-21(25-18-9-7-17(8-10-18)20-23-14-24-27-20)26-19(16-5-1-2-6-16)12-15-4-3-11-22-13-15/h3-4,11,13-14,16-19H,1-2,5-10,12H2,(H,23,24,27)(H2,25,26,28)
InChIKeyUAZAPCYVHFWOOL-UHFFFAOYSA-N
XLogP3.33
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea with MolForge

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 75424924
(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 96928240
(2S)-2-(cyclohexylcarbamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348870
(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 86899439
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea
CID 138018829
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea (CID 166288440) is 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea is O=C(NC1CCC(c2ncn[nH]2)CC1)NC(Cc1cccnc1)C1CCCC1.
What is the InChIKey of 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The InChIKey is UAZAPCYVHFWOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c28-21(25-18-9-7-17(8-10-18)20-23-14-24-27-20)26-19(16-5-1-2-6-16)12-15-4-3-11-22-13-15/h3-4,11,13-14,16-19H,1-2,5-10,12H2,(H,23,24,27)(H2,25,26,28).
What are the key properties of 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea has a molecular weight of 382.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 166288440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).