1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

C16H19N5O2 — CID 75433407

IUPAC1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(c3ccccn3)C2)c[nH]c1=O
InChIInChI=1S/C16H19N5O2/c1-11-8-13(9-18-15(11)22)20-16(23)19-12-5-7-21(10-12)14-4-2-3-6-17-14/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyDVYWJFBIVCQCBI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.48
Rot. Bonds3

About 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (PubChem CID 75433407) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
PubChem CID75433407
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(c3ccccn3)C2)c[nH]c1=O
InChIInChI=1S/C16H19N5O2/c1-11-8-13(9-18-15(11)22)20-16(23)19-12-5-7-21(10-12)14-4-2-3-6-17-14/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyDVYWJFBIVCQCBI-UHFFFAOYSA-N
XLogP1.48
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
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CID 91102074
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CID 99713321
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
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1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 124854450
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1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97335866
1-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[3-(triazol-1-yl)phenyl]urea
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CID 97241132
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (CID 75433407) is 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is Cc1cc(NC(=O)NC2CCN(c3ccccn3)C2)c[nH]c1=O.
What is the InChIKey of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The InChIKey is DVYWJFBIVCQCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-8-13(9-18-15(11)22)20-16(23)19-12-5-7-21(10-12)14-4-2-3-6-17-14/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,18,22)(H2,19,20,23).
What are the key properties of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea has a molecular weight of 313.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 75433407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).