N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide

C17H18N6O — CID 18144011

IUPACN-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H18N6O/c24-17(12-4-6-14-15(10-12)21-22-20-14)19-13-5-7-16(18-11-13)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H,19,24)(H,20,21,22)
InChIKeyAHXAJXIFCRVXGU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.60
Rot. Bonds3

About N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide

N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide (PubChem CID 18144011) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
PubChem CID18144011
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H18N6O/c24-17(12-4-6-14-15(10-12)21-22-20-14)19-13-5-7-16(18-11-13)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H,19,24)(H,20,21,22)
InChIKeyAHXAJXIFCRVXGU-UHFFFAOYSA-N
XLogP2.60
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
3-(methanesulfonamido)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 24612207
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38854366
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide (CID 18144011) is N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide is O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is AHXAJXIFCRVXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(12-4-6-14-15(10-12)21-22-20-14)19-13-5-7-16(18-11-13)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H,19,24)(H,20,21,22).
What are the key properties of N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 18144011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).