N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

C26H28N6O3 — CID 42642507

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccc(C)cn3)cc(-n3nnnc3C(C)C)c2)c(OC)c1
InChIInChI=1S/C26H28N6O3/c1-16(2)25-29-30-31-32(25)21-11-19(23-9-6-17(3)14-27-23)10-20(12-21)26(33)28-15-18-7-8-22(34-4)13-24(18)35-5/h6-14,16H,15H2,1-5H3,(H,28,33)
InChIKeyZCINTDKDPFBPIH-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.10
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (PubChem CID 42642507) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
PubChem CID42642507
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccc(C)cn3)cc(-n3nnnc3C(C)C)c2)c(OC)c1
InChIInChI=1S/C26H28N6O3/c1-16(2)25-29-30-31-32(25)21-11-19(23-9-6-17(3)14-27-23)10-20(12-21)26(33)28-15-18-7-8-22(34-4)13-24(18)35-5/h6-14,16H,15H2,1-5H3,(H,28,33)
InChIKeyZCINTDKDPFBPIH-UHFFFAOYSA-N
XLogP4.10
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-chloro-2-pyridinyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 66664707
5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide
CID 154486349
3-[5-(1,1-difluoroethyl)tetrazol-1-yl]-N-[(2S)-2-hydroxypropyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 90329535
3-[5-(2-methylpropyl)pyrazol-1-yl]-N-[(6-methylpyridazin-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 42628829
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90926757
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-(1,3-thiazol-2-ylmethyl)carbamate
CID 122635615
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (CID 42642507) is N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is COc1ccc(CNC(=O)c2cc(-c3ccc(C)cn3)cc(-n3nnnc3C(C)C)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The InChIKey is ZCINTDKDPFBPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-16(2)25-29-30-31-32(25)21-11-19(23-9-6-17(3)14-27-23)10-20(12-21)26(33)28-15-18-7-8-22(34-4)13-24(18)35-5/h6-14,16H,15H2,1-5H3,(H,28,33).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide has a molecular weight of 472.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is sourced from PubChem (CID 42642507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).