1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea

C18H27N7O — CID 167749837

IUPAC1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCC1(C)CC(NC(=O)NCc2ccc(-n3cncn3)nc2)CC(C)(C)N1
InChIInChI=1S/C18H27N7O/c1-17(2)7-14(8-18(3,4)24-17)23-16(26)21-10-13-5-6-15(20-9-13)25-12-19-11-22-25/h5-6,9,11-12,14,24H,7-8,10H2,1-4H3,(H2,21,23,26)
InChIKeyKPUVWIJPVLPUMW-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.77
Rot. Bonds4

About 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea

1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 167749837) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
PubChem CID167749837
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCC1(C)CC(NC(=O)NCc2ccc(-n3cncn3)nc2)CC(C)(C)N1
InChIInChI=1S/C18H27N7O/c1-17(2)7-14(8-18(3,4)24-17)23-16(26)21-10-13-5-6-15(20-9-13)25-12-19-11-22-25/h5-6,9,11-12,14,24H,7-8,10H2,1-4H3,(H2,21,23,26)
InChIKeyKPUVWIJPVLPUMW-UHFFFAOYSA-N
XLogP1.77
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999039
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94030807
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 95124262
(4aS,8aS)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 94030810
(3S,7aR)-7a-methyl-5-oxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51948449
1-oxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 167781594
(2S)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94026273
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613
2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 47057339
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040627
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 47035523
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55819530

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea (CID 167749837) is 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea is CC1(C)CC(NC(=O)NCc2ccc(-n3cncn3)nc2)CC(C)(C)N1.
What is the InChIKey of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is KPUVWIJPVLPUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-17(2)7-14(8-18(3,4)24-17)23-16(26)21-10-13-5-6-15(20-9-13)25-12-19-11-22-25/h5-6,9,11-12,14,24H,7-8,10H2,1-4H3,(H2,21,23,26).
What are the key properties of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 357.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 167749837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).