N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide

C16H17N5O — CID 99973339

IUPACN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
SMILESCc1cccnc1C[C@H](C)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H17N5O/c1-10-4-3-7-17-14(10)8-11(2)18-16(22)12-5-6-13-15(9-12)20-21-19-13/h3-7,9,11H,8H2,1-2H3,(H,18,22)(H,19,20,21)/t11-/m0/s1
InChIKeyBAKLZFZQNQUNQS-NSHDSACASA-N
MW295.35 g/mol
LogP2.02
Rot. Bonds4

About N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide

N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 99973339) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
PubChem CID99973339
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
SMILESCc1cccnc1C[C@H](C)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H17N5O/c1-10-4-3-7-17-14(10)8-11(2)18-16(22)12-5-6-13-15(9-12)20-21-19-13/h3-7,9,11H,8H2,1-2H3,(H,18,22)(H,19,20,21)/t11-/m0/s1
InChIKeyBAKLZFZQNQUNQS-NSHDSACASA-N
XLogP2.02
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-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-[1-(3-methyl-2-pyridinyl)propan-2-yl]-3-pyrazol-1-ylbenzamide
CID 56743823
5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 125173476
3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126439867
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 169410706
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 83031665

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide (CID 99973339) is N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide is Cc1cccnc1C[C@H](C)NC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is BAKLZFZQNQUNQS-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-4-3-7-17-14(10)8-11(2)18-16(22)12-5-6-13-15(9-12)20-21-19-13/h3-7,9,11H,8H2,1-2H3,(H,18,22)(H,19,20,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide?
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 99973339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).