1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

C16H23N5O2 — CID 95975932

IUPAC1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1cc(C)c(CNC(=O)N[C@@H](C)c2cnn(C)c2C)c(=O)[nH]1
InChIInChI=1S/C16H23N5O2/c1-9-6-10(2)19-15(22)13(9)7-17-16(23)20-11(3)14-8-18-21(5)12(14)4/h6,8,11H,7H2,1-5H3,(H,19,22)(H2,17,20,23)/t11-/m0/s1
InChIKeyYQDYPZVZIYQERN-NSHDSACASA-N
MW317.39 g/mol
LogP1.59
Rot. Bonds4

About 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 95975932) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID95975932
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1cc(C)c(CNC(=O)N[C@@H](C)c2cnn(C)c2C)c(=O)[nH]1
InChIInChI=1S/C16H23N5O2/c1-9-6-10(2)19-15(22)13(9)7-17-16(23)20-11(3)14-8-18-21(5)12(14)4/h6,8,11H,7H2,1-5H3,(H,19,22)(H2,17,20,23)/t11-/m0/s1
InChIKeyYQDYPZVZIYQERN-NSHDSACASA-N
XLogP1.59
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95976867
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38094875
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94173510
1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 7470090
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 94080482
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94188210
6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597425

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (CID 95975932) is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cnn(C)c2C)c(=O)[nH]1.
What is the InChIKey of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is YQDYPZVZIYQERN-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9-6-10(2)19-15(22)13(9)7-17-16(23)20-11(3)14-8-18-21(5)12(14)4/h6,8,11H,7H2,1-5H3,(H,19,22)(H2,17,20,23)/t11-/m0/s1.
What are the key properties of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 317.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 95975932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).