1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea

C19H23N5O2 — CID 118767577

IUPAC1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
SMILESCC1CCC(=O)N1c1ccc(NC(=O)NCCNc2cccnc2)cc1
InChIInChI=1S/C19H23N5O2/c1-14-4-9-18(25)24(14)17-7-5-15(6-8-17)23-19(26)22-12-11-21-16-3-2-10-20-13-16/h2-3,5-8,10,13-14,21H,4,9,11-12H2,1H3,(H2,22,23,26)
InChIKeyDRZMFGCXXRVKPD-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.83
Rot. Bonds6

About 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea

1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea (PubChem CID 118767577) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
PubChem CID118767577
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
SMILESCC1CCC(=O)N1c1ccc(NC(=O)NCCNc2cccnc2)cc1
InChIInChI=1S/C19H23N5O2/c1-14-4-9-18(25)24(14)17-7-5-15(6-8-17)23-19(26)22-12-11-21-16-3-2-10-20-13-16/h2-3,5-8,10,13-14,21H,4,9,11-12H2,1H3,(H2,22,23,26)
InChIKeyDRZMFGCXXRVKPD-UHFFFAOYSA-N
XLogP2.83
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea?
The IUPAC name of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea (CID 118767577) is 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea.
What is the SMILES notation for 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea?
The canonical SMILES for 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea is CC1CCC(=O)N1c1ccc(NC(=O)NCCNc2cccnc2)cc1.
What is the InChIKey of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea?
The InChIKey is DRZMFGCXXRVKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-4-9-18(25)24(14)17-7-5-15(6-8-17)23-19(26)22-12-11-21-16-3-2-10-20-13-16/h2-3,5-8,10,13-14,21H,4,9,11-12H2,1H3,(H2,22,23,26).
What are the key properties of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea?
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea has a molecular weight of 353.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea is sourced from PubChem (CID 118767577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).