1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea

C16H19N3O — CID 47447190

IUPAC1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea
SMILESCc1cccnc1NC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12-8-7-11-17-14(12)18-15(20)19-16(2,3)13-9-5-4-6-10-13/h4-11H,1-3H3,(H2,17,18,19,20)
InChIKeyGUTALOBOOMOHFP-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.45
Rot. Bonds3

About 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea

1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea (PubChem CID 47447190) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea
PubChem CID47447190
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea
SMILESCc1cccnc1NC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12-8-7-11-17-14(12)18-15(20)19-16(2,3)13-9-5-4-6-10-13/h4-11H,1-3H3,(H2,17,18,19,20)
InChIKeyGUTALOBOOMOHFP-UHFFFAOYSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567
1-(3-methyl-2-pyridinyl)-3-(4-phenylphenyl)urea
CID 108867188
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
CID 17099829
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea (CID 47447190) is 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea is Cc1cccnc1NC(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea?
The InChIKey is GUTALOBOOMOHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-8-7-11-17-14(12)18-15(20)19-16(2,3)13-9-5-4-6-10-13/h4-11H,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea?
1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea is sourced from PubChem (CID 47447190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).