1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea

C19H29N5O2 — CID 4149033

IUPAC1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(NC(=O)NC2CCCCC2)n1)NC1CCCCC1
InChIInChI=1S/C19H29N5O2/c25-18(20-14-8-3-1-4-9-14)23-16-12-7-13-17(22-16)24-19(26)21-15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2,(H4,20,21,22,23,24,25,26)
InChIKeySGYOFTPOGOBISN-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.99
Rot. Bonds4

About 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea

1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea (PubChem CID 4149033) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
PubChem CID4149033
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(NC(=O)NC2CCCCC2)n1)NC1CCCCC1
InChIInChI=1S/C19H29N5O2/c25-18(20-14-8-3-1-4-9-14)23-16-12-7-13-17(22-16)24-19(26)21-15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2,(H4,20,21,22,23,24,25,26)
InChIKeySGYOFTPOGOBISN-UHFFFAOYSA-N
XLogP3.99
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
CID 108811981
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701
(E)-3-[6-(cyclopropylcarbamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 62698184
1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404741
1-cyclopentyl-3-pyrido[2,3-d]pyrimidin-7-ylurea
CID 141037409
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
CID 27162469
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea (CID 4149033) is 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea is O=C(Nc1cccc(NC(=O)NC2CCCCC2)n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea?
The InChIKey is SGYOFTPOGOBISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18(20-14-8-3-1-4-9-14)23-16-12-7-13-17(22-16)24-19(26)21-15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2,(H4,20,21,22,23,24,25,26).
What are the key properties of 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea?
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea has a molecular weight of 359.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea is sourced from PubChem (CID 4149033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).