N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide

C22H22FN7O2 — CID 70947661

IUPACN-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
SMILESCOc1ccc(F)cc1N1C(c2cc(-c3cccc(NC(C)=O)c3)cnc2N)=NNN1C
InChIInChI=1S/C22H22FN7O2/c1-13(31)26-17-6-4-5-14(9-17)15-10-18(21(24)25-12-15)22-27-28-29(2)30(22)19-11-16(23)7-8-20(19)32-3/h4-12,28H,1-3H3,(H2,24,25)(H,26,31)
InChIKeyBEUWDOUVGBVXBY-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.97
Rot. Bonds5

About N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide

N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide (PubChem CID 70947661) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
PubChem CID70947661
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC NameN-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
SMILESCOc1ccc(F)cc1N1C(c2cc(-c3cccc(NC(C)=O)c3)cnc2N)=NNN1C
InChIInChI=1S/C22H22FN7O2/c1-13(31)26-17-6-4-5-14(9-17)15-10-18(21(24)25-12-15)22-27-28-29(2)30(22)19-11-16(23)7-8-20(19)32-3/h4-12,28H,1-3H3,(H2,24,25)(H,26,31)
InChIKeyBEUWDOUVGBVXBY-UHFFFAOYSA-N
XLogP2.97
TPSA108.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyphenyl)-4-(2-(2-methoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10475988
N-[5-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 168286835
1-Benzyl-3-(2-methoxyphenyl)-1-pyridin-2-ylurea
CID 2998034
N-(Benzylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-N'-pyridin-2-yl-succinamide
CID 3204807
N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 122180062
1-Pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
CID 127027297
1-Pyridin-2-yl-3-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]urea
CID 127027620
1-Pyridin-4-yl-3-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]urea
CID 127035009
N-[5-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]pyridin-2-yl]prop-2-enamide
CID 145949698
N-[3-[[2-(2-methoxyanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide
CID 168285943
N-[3-[6-amino-5-4-(methoxy-methoxy) phenyl]-3-pyridyl]phenyl] acetamide
CID 126672783
N-[3-[[2-(2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 56965025

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide (CID 70947661) is N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide is COc1ccc(F)cc1N1C(c2cc(-c3cccc(NC(C)=O)c3)cnc2N)=NNN1C.
What is the InChIKey of N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The InChIKey is BEUWDOUVGBVXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-13(31)26-17-6-4-5-14(9-17)15-10-18(21(24)25-12-15)22-27-28-29(2)30(22)19-11-16(23)7-8-20(19)32-3/h4-12,28H,1-3H3,(H2,24,25)(H,26,31).
What are the key properties of N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide has a molecular weight of 435.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-[4-(5-fluoro-2-methoxyphenyl)-3-methyl-2H-tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 70947661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).