N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide

C24H29N3O4 — CID 170238978

IUPACN-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3oc(C4CCC(CO)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C24H29N3O4/c1-14-5-4-6-18(25-14)22(29)26-19-12-21-20(11-17(19)24(2,3)30)27-23(31-21)16-9-7-15(13-28)8-10-16/h4-6,11-12,15-16,28,30H,7-10,13H2,1-3H3,(H,26,29)
InChIKeyMAEHGLCFKRNOFS-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.28
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide

N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170238978) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
PubChem CID170238978
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3oc(C4CCC(CO)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C24H29N3O4/c1-14-5-4-6-18(25-14)22(29)26-19-12-21-20(11-17(19)24(2,3)30)27-23(31-21)16-9-7-15(13-28)8-10-16/h4-6,11-12,15-16,28,30H,7-10,13H2,1-3H3,(H,26,29)
InChIKeyMAEHGLCFKRNOFS-UHFFFAOYSA-N
XLogP4.28
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-(hydroxymethyl)cyclohexyl]-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
CID 174117972
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
methyl 2-(4-ethylcyclohexyl)-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]-1,3-benzoxazole-5-carboxylate
CID 170239315
N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438138
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methylpyridine-2-carboxamide
CID 170421288
N-[2-(4-formylpiperidin-1-yl)-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155438510
N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238711
N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449304
N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide
CID 159506224
N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 156795526
N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 165012438

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide (CID 170238978) is N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc3oc(C4CCC(CO)CC4)nc3cc2C(C)(C)O)n1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is MAEHGLCFKRNOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-14-5-4-6-18(25-14)22(29)26-19-12-21-20(11-17(19)24(2,3)30)27-23(31-21)16-9-7-15(13-28)8-10-16/h4-6,11-12,15-16,28,30H,7-10,13H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide?
N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170238978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).