4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

C23H25FN6O5 — CID 59487457

IUPAC4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CO[C@@H](C(C)=O)CO4)n3)cc(C)n2)ccc1F
InChIInChI=1S/C23H25FN6O5/c1-13-6-16(22-27-29-30(28-22)10-17-11-35-21(12-34-17)14(2)31)8-19(26-13)23(32)25-9-15-4-5-18(24)20(7-15)33-3/h4-8,17,21H,9-12H2,1-3H3,(H,25,32)/t17-,21-/m1/s1
InChIKeyJYZMNCPNKJZTOZ-DYESRHJHSA-N
MW484.49 g/mol
LogP1.49
Rot. Bonds8

About 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 59487457) has the molecular formula C23H25FN6O5 and a molecular weight of 484.49 g/mol. Its IUPAC name is 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID59487457
Molecular FormulaC23H25FN6O5
Molecular Weight484.49 g/mol
Exact Mass484.19
IUPAC Name4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CO[C@@H](C(C)=O)CO4)n3)cc(C)n2)ccc1F
InChIInChI=1S/C23H25FN6O5/c1-13-6-16(22-27-29-30(28-22)10-17-11-35-21(12-34-17)14(2)31)8-19(26-13)23(32)25-9-15-4-5-18(24)20(7-15)33-3/h4-8,17,21H,9-12H2,1-3H3,(H,25,32)/t17-,21-/m1/s1
InChIKeyJYZMNCPNKJZTOZ-DYESRHJHSA-N
XLogP1.49
TPSA130.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 25183622
trans-4-((5-(2-(4-fluoro-3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 25181615
trans-4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225509
(2S,5S)-5-[[5-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]tetrazol-2-yl]methyl]-1,4-dioxane-2-carboxylic acid
CID 68726681
4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70267879
4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225476
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2R,5S)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 25183623
6-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 25183625
4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68724898
4-[2-[(4-carbamoylcyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68795150
4-[2-[(4-acetamidocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68799256
4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70265758

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 59487457) is 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CO[C@@H](C(C)=O)CO4)n3)cc(C)n2)ccc1F.
What is the InChIKey of 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is JYZMNCPNKJZTOZ-DYESRHJHSA-N. The full InChI is InChI=1S/C23H25FN6O5/c1-13-6-16(22-27-29-30(28-22)10-17-11-35-21(12-34-17)14(2)31)8-19(26-13)23(32)25-9-15-4-5-18(24)20(7-15)33-3/h4-8,17,21H,9-12H2,1-3H3,(H,25,32)/t17-,21-/m1/s1.
What are the key properties of 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 484.49 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R,5R)-5-acetyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 59487457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).