1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea

C16H22N4O2 — CID 138010415

IUPAC1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccncc1CNC(=O)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H22N4O2/c1-11-4-5-17-8-13(11)9-19-16(22)18-7-12-6-15(21)20(10-12)14-2-3-14/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3,(H2,18,19,22)
InChIKeySCQTZVZNOAUOSR-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.20
Rot. Bonds5

About 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea (PubChem CID 138010415) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
PubChem CID138010415
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccncc1CNC(=O)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H22N4O2/c1-11-4-5-17-8-13(11)9-19-16(22)18-7-12-6-15(21)20(10-12)14-2-3-14/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3,(H2,18,19,22)
InChIKeySCQTZVZNOAUOSR-UHFFFAOYSA-N
XLogP1.20
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea (CID 138010415) is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea is Cc1ccncc1CNC(=O)NCC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea?
The InChIKey is SCQTZVZNOAUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-4-5-17-8-13(11)9-19-16(22)18-7-12-6-15(21)20(10-12)14-2-3-14/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea?
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea has a molecular weight of 302.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 138010415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).