2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide

C22H16F3N7O3 — CID 117077425

IUPAC2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cc(Nc2ccccc2-c2nn[nH]n2)c(C(F)(F)F)cn1
InChIInChI=1S/C22H16F3N7O3/c23-22(24,25)14-10-26-19(28-20(33)8-12-5-6-17-18(7-12)35-11-34-17)9-16(14)27-15-4-2-1-3-13(15)21-29-31-32-30-21/h1-7,9-10H,8,11H2,(H2,26,27,28,33)(H,29,30,31,32)
InChIKeyYNTCCMHEOOOQNV-UHFFFAOYSA-N
MW483.41 g/mol
LogP3.93
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 117077425) has the molecular formula C22H16F3N7O3 and a molecular weight of 483.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID117077425
Molecular FormulaC22H16F3N7O3
Molecular Weight483.41 g/mol
Exact Mass483.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cc(Nc2ccccc2-c2nn[nH]n2)c(C(F)(F)F)cn1
InChIInChI=1S/C22H16F3N7O3/c23-22(24,25)14-10-26-19(28-20(33)8-12-5-6-17-18(7-12)35-11-34-17)9-16(14)27-15-4-2-1-3-13(15)21-29-31-32-30-21/h1-7,9-10H,8,11H2,(H2,26,27,28,33)(H,29,30,31,32)
InChIKeyYNTCCMHEOOOQNV-UHFFFAOYSA-N
XLogP3.93
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-N'-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide
CID 1419485
N-(1,3-benzodioxol-5-ylmethyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
CID 3245321
1-[4-[7-Amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 49830343
2-(1,3-Benzodioxol-5-yl)-1-[2-[3-(trifluoromethyl)anilino]-5,6,7,9-tetrahydropyrimido[5,4-e][1,4]diazepin-8-yl]ethanone
CID 134807428
2-(1,3-Benzodioxol-5-yl)-1-[2-(3-fluoroanilino)-5,6,7,9-tetrahydropyrimido[5,4-e][1,4]diazepin-8-yl]ethanone
CID 134809525
2-(3,4-dimethoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide
CID 137654787
4-[5-(1,3-Benzodioxol-5-yl)-1-pyridin-2-ylpyrazol-3-yl]benzamide
CID 45269466
3-(1,3-benzodioxol-5-yl)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 51098000
1-[2-[[2-(1,3-Benzodioxol-5-yl)acetyl]amino]-4-pyridinyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117076808
2-(1,3-benzodioxol-5-yl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
CID 117076812
2-(1,3-benzodioxol-5-yl)-N-[4-[2-(1H-1,2,4-triazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 117077411
2-(1,3-benzodioxol-5-yl)-N-[5-fluoro-4-[2-(1H-1,2,4-triazol-5-yl)anilino]-2-pyridinyl]acetamide
CID 117077432

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 117077425) is 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1cc(Nc2ccccc2-c2nn[nH]n2)c(C(F)(F)F)cn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is YNTCCMHEOOOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N7O3/c23-22(24,25)14-10-26-19(28-20(33)8-12-5-6-17-18(7-12)35-11-34-17)9-16(14)27-15-4-2-1-3-13(15)21-29-31-32-30-21/h1-7,9-10H,8,11H2,(H2,26,27,28,33)(H,29,30,31,32).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 483.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 117077425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).