N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide

C17H18N6O — CID 77089637

IUPACN-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C17H18N6O/c1-3-23(12-13-8-10-18-11-9-13)17(24)15-6-4-14(5-7-15)16-19-21-22(2)20-16/h4-11H,3,12H2,1-2H3
InChIKeyKGLJHAARMLRTDM-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.93
Rot. Bonds5

About N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide

N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 77089637) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID77089637
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C17H18N6O/c1-3-23(12-13-8-10-18-11-9-13)17(24)15-6-4-14(5-7-15)16-19-21-22(2)20-16/h4-11H,3,12H2,1-2H3
InChIKeyKGLJHAARMLRTDM-UHFFFAOYSA-N
XLogP1.93
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 50958972
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952867
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72915768
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72910487
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide (CID 77089637) is N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is KGLJHAARMLRTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-3-23(12-13-8-10-18-11-9-13)17(24)15-6-4-14(5-7-15)16-19-21-22(2)20-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide?
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 77089637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).