1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea

C19H23N5O2 — CID 72909132

IUPAC1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
SMILESO=C(NCCCNc1cccnc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H23N5O2/c25-18-5-2-13-24(18)17-8-6-15(7-9-17)23-19(26)22-12-3-11-21-16-4-1-10-20-14-16/h1,4,6-10,14,21H,2-3,5,11-13H2,(H2,22,23,26)
InChIKeyOYFXVNXPSLTXDQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.83
Rot. Bonds7

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

1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea (PubChem CID 72909132) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea.

Molecular Properties

Compound Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
PubChem CID72909132
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
SMILESO=C(NCCCNc1cccnc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H23N5O2/c25-18-5-2-13-24(18)17-8-6-15(7-9-17)23-19(26)22-12-3-11-21-16-4-1-10-20-14-16/h1,4,6-10,14,21H,2-3,5,11-13H2,(H2,22,23,26)
InChIKeyOYFXVNXPSLTXDQ-UHFFFAOYSA-N
XLogP2.83
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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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Related Compounds

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 86988033
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 118767577
1-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 125154948
1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-3-pyridin-3-ylurea
CID 58150071
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987752
1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987743
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55816777
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(1,2,4-triazol-4-yl)propyl]urea
CID 118782997
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695718
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 72901107

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea?
The IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea (CID 72909132) is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea.
What is the SMILES notation for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea?
The canonical SMILES for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea is O=C(NCCCNc1cccnc1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea?
The InChIKey is OYFXVNXPSLTXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18-5-2-13-24(18)17-8-6-15(7-9-17)23-19(26)22-12-3-11-21-16-4-1-10-20-14-16/h1,4,6-10,14,21H,2-3,5,11-13H2,(H2,22,23,26).
What are the key properties of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea?
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea has a molecular weight of 353.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea is sourced from PubChem (CID 72909132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).