1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea

C16H23N5O — CID 138027918

IUPAC1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCc1cc(NC(=O)NC(c2cnn(C)c2)C(C)C)cc(C)n1
InChIInChI=1S/C16H23N5O/c1-10(2)15(13-8-17-21(5)9-13)20-16(22)19-14-6-11(3)18-12(4)7-14/h6-10,15H,1-5H3,(H2,18,19,20,22)
InChIKeyVKNFXIQRDCCNTF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.95
Rot. Bonds4

About 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea

1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 138027918) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID138027918
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCc1cc(NC(=O)NC(c2cnn(C)c2)C(C)C)cc(C)n1
InChIInChI=1S/C16H23N5O/c1-10(2)15(13-8-17-21(5)9-13)20-16(22)19-14-6-11(3)18-12(4)7-14/h6-10,15H,1-5H3,(H2,18,19,20,22)
InChIKeyVKNFXIQRDCCNTF-UHFFFAOYSA-N
XLogP2.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea
CID 166209852
1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
CID 136563591
1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 164636891
1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138025708
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96524434
1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138025781
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 154772295
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97218514
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea (CID 138027918) is 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea is Cc1cc(NC(=O)NC(c2cnn(C)c2)C(C)C)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is VKNFXIQRDCCNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)15(13-8-17-21(5)9-13)20-16(22)19-14-6-11(3)18-12(4)7-14/h6-10,15H,1-5H3,(H2,18,19,20,22).
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 301.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 138027918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).