N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide

C14H11BrN6O — CID 55773373

IUPACN-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)ccc1-n1cnnn1
InChIInChI=1S/C14H11BrN6O/c1-9-6-10(2-4-12(9)21-8-17-19-20-21)14(22)18-13-5-3-11(15)7-16-13/h2-8H,1H3,(H,16,18,22)
InChIKeyPROJIBACYIHEAN-UHFFFAOYSA-N
MW359.19 g/mol
LogP2.38
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide

N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55773373) has the molecular formula C14H11BrN6O and a molecular weight of 359.19 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55773373
Molecular FormulaC14H11BrN6O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC NameN-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)ccc1-n1cnnn1
InChIInChI=1S/C14H11BrN6O/c1-9-6-10(2-4-12(9)21-8-17-19-20-21)14(22)18-13-5-3-11(15)7-16-13/h2-8H,1H3,(H,16,18,22)
InChIKeyPROJIBACYIHEAN-UHFFFAOYSA-N
XLogP2.38
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616644
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 55616965
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616466
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(tetrazol-1-yl)benzamide
CID 55616670
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51134126
3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 46408400

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide (CID 55773373) is N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)Nc2ccc(Br)cn2)ccc1-n1cnnn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is PROJIBACYIHEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN6O/c1-9-6-10(2-4-12(9)21-8-17-19-20-21)14(22)18-13-5-3-11(15)7-16-13/h2-8H,1H3,(H,16,18,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide?
N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 359.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55773373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).