N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine

C20H18N6O — CID 166085594

IUPACN-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3nn[nH]n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-17-9-7-14(8-10-17)13-21-19-12-16(20-23-25-26-24-20)11-18(22-19)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,22)(H,23,24,25,26)
InChIKeyQIBPMRDKYBUBQG-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.55
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine

N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine (PubChem CID 166085594) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine
PubChem CID166085594
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3nn[nH]n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-17-9-7-14(8-10-17)13-21-19-12-16(20-23-25-26-24-20)11-18(22-19)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,22)(H,23,24,25,26)
InChIKeyQIBPMRDKYBUBQG-UHFFFAOYSA-N
XLogP3.55
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 53073226

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine (CID 166085594) is N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine is COc1ccc(CNc2cc(-c3nn[nH]n3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine?
The InChIKey is QIBPMRDKYBUBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-27-17-9-7-14(8-10-17)13-21-19-12-16(20-23-25-26-24-20)11-18(22-19)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,22)(H,23,24,25,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine has a molecular weight of 358.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 166085594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).