3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C19H16N8O — CID 166211148

IUPAC3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(CNc2ccncn2)c1
InChIInChI=1S/C19H16N8O/c28-19(23-16-6-2-4-14(10-16)18-24-26-27-25-18)15-5-1-3-13(9-15)11-21-17-7-8-20-12-22-17/h1-10,12H,11H2,(H,23,28)(H,20,21,22)(H,24,25,26,27)
InChIKeyHQXSESRLXZOJRW-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.52
Rot. Bonds6

About 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 166211148) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID166211148
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(CNc2ccncn2)c1
InChIInChI=1S/C19H16N8O/c28-19(23-16-6-2-4-14(10-16)18-24-26-27-25-18)15-5-1-3-13(9-15)11-21-17-7-8-20-12-22-17/h1-10,12H,11H2,(H,23,28)(H,20,21,22)(H,24,25,26,27)
InChIKeyHQXSESRLXZOJRW-UHFFFAOYSA-N
XLogP2.52
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide
CID 167805727

Frequently Asked Questions

What is the IUPAC name of 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 166211148) is 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(CNc2ccncn2)c1.
What is the InChIKey of 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is HQXSESRLXZOJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c28-19(23-16-6-2-4-14(10-16)18-24-26-27-25-18)15-5-1-3-13(9-15)11-21-17-7-8-20-12-22-17/h1-10,12H,11H2,(H,23,28)(H,20,21,22)(H,24,25,26,27).
What are the key properties of 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 372.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 166211148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).