N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide

C14H18N6O — CID 125441300

IUPACN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ncn[nH]1
InChIInChI=1S/C14H18N6O/c21-14(13-16-10-17-19-13)18-12-4-2-6-20(9-12)8-11-3-1-5-15-7-11/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,18,21)(H,16,17,19)/t12-/m1/s1
InChIKeyIICOFQVMGMTBQG-GFCCVEGCSA-N
MW286.34 g/mol
LogP0.59
Rot. Bonds4

About N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide

N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 125441300) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID125441300
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ncn[nH]1
InChIInChI=1S/C14H18N6O/c21-14(13-16-10-17-19-13)18-12-4-2-6-20(9-12)8-11-3-1-5-15-7-11/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,18,21)(H,16,17,19)/t12-/m1/s1
InChIKeyIICOFQVMGMTBQG-GFCCVEGCSA-N
XLogP0.59
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 91788256
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125173875
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125155616
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide (CID 125441300) is N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide is O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ncn[nH]1.
What is the InChIKey of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is IICOFQVMGMTBQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(13-16-10-17-19-13)18-12-4-2-6-20(9-12)8-11-3-1-5-15-7-11/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,18,21)(H,16,17,19)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 125441300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).