N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide

C13H11N5O — CID 56783123

IUPACN-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
SMILESCc1cnccc1NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H11N5O/c1-8-7-14-5-4-10(8)15-13(19)9-2-3-11-12(6-9)17-18-16-11/h2-7H,1H3,(H,14,15,19)(H,16,17,18)
InChIKeyWYONARAWOPVKFI-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.91
Rot. Bonds2

About N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide

N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide (PubChem CID 56783123) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
PubChem CID56783123
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
SMILESCc1cnccc1NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H11N5O/c1-8-7-14-5-4-10(8)15-13(19)9-2-3-11-12(6-9)17-18-16-11/h2-7H,1H3,(H,14,15,19)(H,16,17,18)
InChIKeyWYONARAWOPVKFI-UHFFFAOYSA-N
XLogP1.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-pyridinyl)-1H-indole-5-carboxamide
CID 63719010
N-(3-methyl-4-pyridinyl)-1H-indole-6-carboxamide
CID 63709047
3-(methanesulfonamido)-4-methyl-N-(3-methyl-4-pyridinyl)benzamide
CID 56803470
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078
3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
CID 71998645
4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide
CID 63669871
3-amino-N-(3-methyl-4-pyridinyl)-4-nitrobenzamide
CID 63670887
3-[3-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]prop-2-enoic acid
CID 77004222
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 63670386
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide (CID 56783123) is N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide is Cc1cnccc1NC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is WYONARAWOPVKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-7-14-5-4-10(8)15-13(19)9-2-3-11-12(6-9)17-18-16-11/h2-7H,1H3,(H,14,15,19)(H,16,17,18).
What are the key properties of N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide?
N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 56783123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).