N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide

C14H11N7O3 — CID 170434577

IUPACN-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)nc1
InChIInChI=1S/C14H11N7O3/c1-8-2-5-12(15-7-8)16-14(22)10-4-3-9(21(23)24)6-11(10)13-17-19-20-18-13/h2-7H,1H3,(H,15,16,22)(H,17,18,19,20)
InChIKeyYYZMLWIIYMZSCR-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.73
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide

N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide (PubChem CID 170434577) has the molecular formula C14H11N7O3 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide
PubChem CID170434577
Molecular FormulaC14H11N7O3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC NameN-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)nc1
InChIInChI=1S/C14H11N7O3/c1-8-2-5-12(15-7-8)16-14(22)10-4-3-9(21(23)24)6-11(10)13-17-19-20-18-13/h2-7H,1H3,(H,15,16,22)(H,17,18,19,20)
InChIKeyYYZMLWIIYMZSCR-UHFFFAOYSA-N
XLogP1.73
TPSA139.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170433984
N-(5-methyl-2-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 17432330
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)-5-nitrobenzamide
CID 35022110
N-(5-methyl-2-pyridinyl)-2-nitroacetamide
CID 12520553
2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide
CID 133301141
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 971660
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
5-nitro-2-(2H-tetrazol-5-yl)aniline
CID 170915363
N-(5-methyl-2-pyridinyl)-2-(7-nitro-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060609
3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528072
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212
2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid
CID 10360560

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide (CID 170434577) is N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide?
The InChIKey is YYZMLWIIYMZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O3/c1-8-2-5-12(15-7-8)16-14(22)10-4-3-9(21(23)24)6-11(10)13-17-19-20-18-13/h2-7H,1H3,(H,15,16,22)(H,17,18,19,20).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide?
N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide has a molecular weight of 325.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 170434577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).