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

C16H16N6O — CID 30267342

IUPACN-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H16N6O/c23-16(11-3-5-13-14(9-11)20-21-19-13)18-12-4-6-15(17-10-12)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,18,23)(H,19,20,21)
InChIKeyKQTIACDDJLYPNR-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.21
Rot. Bonds3

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

N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide (PubChem CID 30267342) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
PubChem CID30267342
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H16N6O/c23-16(11-3-5-13-14(9-11)20-21-19-13)18-12-4-6-15(17-10-12)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,18,23)(H,19,20,21)
InChIKeyKQTIACDDJLYPNR-UHFFFAOYSA-N
XLogP2.21
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38854366
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
3-(methanesulfonamido)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 24612207
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
3-(2-oxopyrrolidin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217566
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide (CID 30267342) is N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is KQTIACDDJLYPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(11-3-5-13-14(9-11)20-21-19-13)18-12-4-6-15(17-10-12)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,18,23)(H,19,20,21).
What are the key properties of N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide?
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 30267342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).