2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide

C21H18N6O3 — CID 131909234

IUPAC2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-n3cnnn3)cc2O)c2ccncc2)cc1
InChIInChI=1S/C21H18N6O3/c1-30-17-5-2-14(3-6-17)20(15-8-10-22-11-9-15)24-21(29)18-7-4-16(12-19(18)28)27-13-23-25-26-27/h2-13,20,28H,1H3,(H,24,29)
InChIKeyWMPMGFOKQCVPHC-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.29
Rot. Bonds6

About 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide

2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 131909234) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID131909234
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-n3cnnn3)cc2O)c2ccncc2)cc1
InChIInChI=1S/C21H18N6O3/c1-30-17-5-2-14(3-6-17)20(15-8-10-22-11-9-15)24-21(29)18-7-4-16(12-19(18)28)27-13-23-25-26-27/h2-13,20,28H,1H3,(H,24,29)
InChIKeyWMPMGFOKQCVPHC-UHFFFAOYSA-N
XLogP2.29
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 42924364
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
CID 43003578
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630277
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 30406600
N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 99929721

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide (CID 131909234) is 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide is COc1ccc(C(NC(=O)c2ccc(-n3cnnn3)cc2O)c2ccncc2)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is WMPMGFOKQCVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-30-17-5-2-14(3-6-17)20(15-8-10-22-11-9-15)24-21(29)18-7-4-16(12-19(18)28)27-13-23-25-26-27/h2-13,20,28H,1H3,(H,24,29).
What are the key properties of 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide?
2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 402.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 131909234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).