1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

C12H19N3O2 — CID 97317767

IUPAC1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCC(C)[C@@H](C)NC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)9(3)13-12(17)14-10-6-5-7-15(4)11(10)16/h5-9H,1-4H3,(H2,13,14,17)/t9-/m1/s1
InChIKeyKXFDNMDNLIOZGU-SECBINFHSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds3

About 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 97317767) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID97317767
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCC(C)[C@@H](C)NC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)9(3)13-12(17)14-10-6-5-7-15(4)11(10)16/h5-9H,1-4H3,(H2,13,14,17)/t9-/m1/s1
InChIKeyKXFDNMDNLIOZGU-SECBINFHSA-N
XLogP1.55
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97020819
2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
CID 119782695
2-amino-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 130637050
1-[(2S)-3-methylbutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51944178
1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782892
1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111754915
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111475007
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111754914
(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 154751085
3,5-dichloro-N-(1-methyl-2-oxo-3-pyridinyl)benzamide
CID 86768884
1-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 119323050
N-(1-methyl-2-oxo-3-pyridinyl)thiophene-3-carboxamide
CID 86768883

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 97317767) is 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is CC(C)[C@@H](C)NC(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is KXFDNMDNLIOZGU-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)9(3)13-12(17)14-10-6-5-7-15(4)11(10)16/h5-9H,1-4H3,(H2,13,14,17)/t9-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 97317767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).