3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride

C23H24BrClN6 — CID 67862107

IUPAC3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(Br)c(CC)n1.Cl
InChIInChI=1S/C23H23BrN6.ClH/c1-4-16-14-21(22(24)20(5-2)25-16)30(3)17-12-10-15(11-13-17)18-8-6-7-9-19(18)23-26-28-29-27-23;/h6-14H,4-5H2,1-3H3,(H,26,27,28,29);1H
InChIKeyZPXZZLWCFHHDNS-UHFFFAOYSA-N
MW499.84 g/mol
LogP6.01
Rot. Bonds6

About 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride

3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride (PubChem CID 67862107) has the molecular formula C23H24BrClN6 and a molecular weight of 499.84 g/mol. Its IUPAC name is 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
PubChem CID67862107
Molecular FormulaC23H24BrClN6
Molecular Weight499.84 g/mol
Exact Mass498.09
IUPAC Name3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(Br)c(CC)n1.Cl
InChIInChI=1S/C23H23BrN6.ClH/c1-4-16-14-21(22(24)20(5-2)25-16)30(3)17-12-10-15(11-13-17)18-8-6-7-9-19(18)23-26-28-29-27-23;/h6-14H,4-5H2,1-3H3,(H,26,27,28,29);1H
InChIKeyZPXZZLWCFHHDNS-UHFFFAOYSA-N
XLogP6.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.84
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862650
[6-ethyl-2-methyl-4-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]-3-pyridinyl]-phenylmethanone
CID 54140911
3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 19975783
5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CID 23372849
5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 19975930
N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 54158998
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 19771703
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one
CID 19093703
5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
CID 19093788
N-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3,5-diethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 54408477
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride?
The IUPAC name of 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride (CID 67862107) is 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride.
What is the SMILES notation for 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride?
The canonical SMILES for 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride is CCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(Br)c(CC)n1.Cl.
What is the InChIKey of 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride?
The InChIKey is ZPXZZLWCFHHDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6.ClH/c1-4-16-14-21(22(24)20(5-2)25-16)30(3)17-12-10-15(11-13-17)18-8-6-7-9-19(18)23-26-28-29-27-23;/h6-14H,4-5H2,1-3H3,(H,26,27,28,29);1H.
What are the key properties of 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride?
3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride has a molecular weight of 499.84 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 67862107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).