1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea

C18H22N4O — CID 11225540

IUPAC1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)NC(c1ccccn1)c1ccccn1
InChIInChI=1S/C18H22N4O/c23-18(21-14-8-2-1-3-9-14)22-17(15-10-4-6-12-19-15)16-11-5-7-13-20-16/h4-7,10-14,17H,1-3,8-9H2,(H2,21,22,23)
InChIKeyDNZXMSSLEYVSFF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds4

About 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea

1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea (PubChem CID 11225540) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea
PubChem CID11225540
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)NC(c1ccccn1)c1ccccn1
InChIInChI=1S/C18H22N4O/c23-18(21-14-8-2-1-3-9-14)22-17(15-10-4-6-12-19-15)16-11-5-7-13-20-16/h4-7,10-14,17H,1-3,8-9H2,(H2,21,22,23)
InChIKeyDNZXMSSLEYVSFF-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70268253
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
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3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
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1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 100744634
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
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1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94148998
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421760
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CID 25421755

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea (CID 11225540) is 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea is O=C(NC1CCCCC1)NC(c1ccccn1)c1ccccn1.
What is the InChIKey of 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea?
The InChIKey is DNZXMSSLEYVSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-14-8-2-1-3-9-14)22-17(15-10-4-6-12-19-15)16-11-5-7-13-20-16/h4-7,10-14,17H,1-3,8-9H2,(H2,21,22,23).
What are the key properties of 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea?
1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea is sourced from PubChem (CID 11225540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).