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

C22H25FN6O3 — CID 70268715

IUPACN-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CC[C@H](O)C4)n3)cc(C)n2)ccc1F
InChIInChI=1S/C22H25FN6O3/c1-13-7-16(21-26-28-29(27-21)12-15-3-5-17(30)8-15)10-19(25-13)22(31)24-11-14-4-6-18(23)20(9-14)32-2/h4,6-7,9-10,15,17,30H,3,5,8,11-12H2,1-2H3,(H,24,31)/t15-,17+/m1/s1
InChIKeyHTYOGWOWVYQBCW-WBVHZDCISA-N
MW440.48 g/mol
LogP2.28
Rot. Bonds7

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

N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 70268715) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID70268715
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CC[C@H](O)C4)n3)cc(C)n2)ccc1F
InChIInChI=1S/C22H25FN6O3/c1-13-7-16(21-26-28-29(27-21)12-15-3-5-17(30)8-15)10-19(25-13)22(31)24-11-14-4-6-18(23)20(9-14)32-2/h4,6-7,9-10,15,17,30H,3,5,8,11-12H2,1-2H3,(H,24,31)/t15-,17+/m1/s1
InChIKeyHTYOGWOWVYQBCW-WBVHZDCISA-N
XLogP2.28
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[[4-(aminomethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68744699
N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-[(2-iodoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 70268221
(2S,5S)-5-[[5-[2-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]-1,4-dioxane-2-carboxylic acid
CID 68727264
[2-[(3R)-3-[[5-[2-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl] acetate
CID 143754367
6-[2-[[(1S,3R)-3-acetamidocyclopentyl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 68776666
N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[(2S)-3-hydroxy-2-methylpropyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 70268582
4-[2-[[(1R,3S)-3-(hydroxymethyl)cyclopentyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70270410
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 68793626
4-[1-[(4-aminocyclohexyl)methyl]-1,2,4-triazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68796737
4-[1-[(4-acetamidocyclohexyl)methyl]-1,2,4-triazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268683
N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 70267687
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methyl-4-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 143754100

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (CID 70268715) is N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CC[C@H](O)C4)n3)cc(C)n2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is HTYOGWOWVYQBCW-WBVHZDCISA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-13-7-16(21-26-28-29(27-21)12-15-3-5-17(30)8-15)10-19(25-13)22(31)24-11-14-4-6-18(23)20(9-14)32-2/h4,6-7,9-10,15,17,30H,3,5,8,11-12H2,1-2H3,(H,24,31)/t15-,17+/m1/s1.
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 70268715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).