1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea

C18H26N4O2 — CID 125441499

IUPAC1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea
SMILESCN1CC[C@@H](NC(=O)N(Cc2ccncc2)C2CCCCC2)C1=O
InChIInChI=1S/C18H26N4O2/c1-21-12-9-16(17(21)23)20-18(24)22(15-5-3-2-4-6-15)13-14-7-10-19-11-8-14/h7-8,10-11,15-16H,2-6,9,12-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyVLADPULAFRCKRS-MRXNPFEDSA-N
MW330.43 g/mol
LogP2.16
Rot. Bonds4

About 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea

1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 125441499) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea
PubChem CID125441499
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea
SMILESCN1CC[C@@H](NC(=O)N(Cc2ccncc2)C2CCCCC2)C1=O
InChIInChI=1S/C18H26N4O2/c1-21-12-9-16(17(21)23)20-18(24)22(15-5-3-2-4-6-15)13-14-7-10-19-11-8-14/h7-8,10-11,15-16H,2-6,9,12-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyVLADPULAFRCKRS-MRXNPFEDSA-N
XLogP2.16
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea (CID 125441499) is 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea is CN1CC[C@@H](NC(=O)N(Cc2ccncc2)C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is VLADPULAFRCKRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-12-9-16(17(21)23)20-18(24)22(15-5-3-2-4-6-15)13-14-7-10-19-11-8-14/h7-8,10-11,15-16H,2-6,9,12-13H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea?
1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 330.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 125441499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).