N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide

C24H30FN7O3S — CID 70267687

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2nnn(CC3CCC(NS(C)(=O)=O)CC3)n2)cc(C(=O)NCc2ccc(F)c(C)c2)n1
InChIInChI=1S/C24H30FN7O3S/c1-15-10-18(6-9-21(15)25)13-26-24(33)22-12-19(11-16(2)27-22)23-28-31-32(29-23)14-17-4-7-20(8-5-17)30-36(3,34)35/h6,9-12,17,20,30H,4-5,7-8,13-14H2,1-3H3,(H,26,33)
InChIKeyNJEWMZOEVWNSGM-UHFFFAOYSA-N
MW515.62 g/mol
LogP2.53
Rot. Bonds8

About N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 70267687) has the molecular formula C24H30FN7O3S and a molecular weight of 515.62 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID70267687
Molecular FormulaC24H30FN7O3S
Molecular Weight515.62 g/mol
Exact Mass515.21
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2nnn(CC3CCC(NS(C)(=O)=O)CC3)n2)cc(C(=O)NCc2ccc(F)c(C)c2)n1
InChIInChI=1S/C24H30FN7O3S/c1-15-10-18(6-9-21(15)25)13-26-24(33)22-12-19(11-16(2)27-22)23-28-31-32(29-23)14-17-4-7-20(8-5-17)30-36(3,34)35/h6,9-12,17,20,30H,4-5,7-8,13-14H2,1-3H3,(H,26,33)
InChIKeyNJEWMZOEVWNSGM-UHFFFAOYSA-N
XLogP2.53
TPSA131.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 68793626
N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-[(2-iodoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 70268221
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-[[(1R,3S)-3-hydroxycyclopentyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 70268715
4-[2-[[4-(acetamidomethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268549
4-[2-[[(1R,3S)-3-(hydroxymethyl)cyclopentyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70270410
(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
4-[2-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268532
6-[2-[[(1S,3R)-3-acetamidocyclopentyl]methyl]tetrazol-5-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 68776666
4-[1-[(4-acetamidocyclohexyl)methyl]-1,2,4-triazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268683
3-[[5-[2-[(3-methoxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]piperidine-1-carboxylic acid
CID 68748000

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (CID 70267687) is N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is Cc1cc(-c2nnn(CC3CCC(NS(C)(=O)=O)CC3)n2)cc(C(=O)NCc2ccc(F)c(C)c2)n1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is NJEWMZOEVWNSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O3S/c1-15-10-18(6-9-21(15)25)13-26-24(33)22-12-19(11-16(2)27-22)23-28-31-32(29-23)14-17-4-7-20(8-5-17)30-36(3,34)35/h6,9-12,17,20,30H,4-5,7-8,13-14H2,1-3H3,(H,26,33).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 70267687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).