1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

C16H23N7O — CID 94166826

IUPAC1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESC[C@H]1CCCCN1CCNC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H23N7O/c1-13-4-2-3-8-22(13)9-7-18-16(24)21-14-5-6-15(19-10-14)23-12-17-11-20-23/h5-6,10-13H,2-4,7-9H2,1H3,(H2,18,21,24)/t13-/m0/s1
InChIKeyFLZXZWSGHCQDOW-ZDUSSCGKSA-N
MW329.41 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (PubChem CID 94166826) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
PubChem CID94166826
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESC[C@H]1CCCCN1CCNC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H23N7O/c1-13-4-2-3-8-22(13)9-7-18-16(24)21-14-5-6-15(19-10-14)23-12-17-11-20-23/h5-6,10-13H,2-4,7-9H2,1H3,(H2,18,21,24)/t13-/m0/s1
InChIKeyFLZXZWSGHCQDOW-ZDUSSCGKSA-N
XLogP1.66
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea with MolForge

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Related Compounds

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94030807
1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 71895021
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94815212
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55819530
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 166240278
(4aS,8aR)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 95126743
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 42945059
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 94099324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (CID 94166826) is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is C[C@H]1CCCCN1CCNC(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The InChIKey is FLZXZWSGHCQDOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N7O/c1-13-4-2-3-8-22(13)9-7-18-16(24)21-14-5-6-15(19-10-14)23-12-17-11-20-23/h5-6,10-13H,2-4,7-9H2,1H3,(H2,18,21,24)/t13-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea has a molecular weight of 329.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 94166826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).