1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

C19H21FN4O3 — CID 155947310

IUPAC1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCCc1cc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H21FN4O3/c1-2-14-9-12(10-17(25)21-14)18(26)24-8-7-16(11-24)23-19(27)22-15-5-3-13(20)4-6-15/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,21,25)(H2,22,23,27)
InChIKeyGQDZYDATFWRLMQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.11
Rot. Bonds4

About 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 155947310) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID155947310
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCCc1cc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H21FN4O3/c1-2-14-9-12(10-17(25)21-14)18(26)24-8-7-16(11-24)23-19(27)22-15-5-3-13(20)4-6-15/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,21,25)(H2,22,23,27)
InChIKeyGQDZYDATFWRLMQ-UHFFFAOYSA-N
XLogP2.11
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 119310461
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713
1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173
1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea
CID 95289565
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734475

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (CID 155947310) is 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is CCc1cc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)C2)cc(=O)[nH]1.
What is the InChIKey of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is GQDZYDATFWRLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-2-14-9-12(10-17(25)21-14)18(26)24-8-7-16(11-24)23-19(27)22-15-5-3-13(20)4-6-15/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,21,25)(H2,22,23,27).
What are the key properties of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 372.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 155947310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).