N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide

C24H32N2O4 — CID 23566681

IUPACN-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC2COC(C(C)Cc3ccc(C(C)(C)C)cc3)OC2)c1O
InChIInChI=1S/C24H32N2O4/c1-15-10-11-25-20(21(15)27)22(28)26-19-13-29-23(30-14-19)16(2)12-17-6-8-18(9-7-17)24(3,4)5/h6-11,16,19,23,27H,12-14H2,1-5H3,(H,26,28)
InChIKeyDEFWHJPBLVIDTQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide

N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide (PubChem CID 23566681) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide
PubChem CID23566681
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC2COC(C(C)Cc3ccc(C(C)(C)C)cc3)OC2)c1O
InChIInChI=1S/C24H32N2O4/c1-15-10-11-25-20(21(15)27)22(28)26-19-13-29-23(30-14-19)16(2)12-17-6-8-18(9-7-17)24(3,4)5/h6-11,16,19,23,27H,12-14H2,1-5H3,(H,26,28)
InChIKeyDEFWHJPBLVIDTQ-UHFFFAOYSA-N
XLogP3.74
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide
CID 23566755
3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide
CID 18681928
3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide
CID 59037446
N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide
CID 23566883
[8-benzyl-3-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-6-methyl-2,4,9-trioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
CID 20821416
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
[4-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,2,6,6-tetramethylcyclohexyl] 3-methylbutanoate
CID 18681983
N-cyclohexyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088897
2-methyl-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 106753340
(2S,3R)-2-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5-dimethylmorpholine
CID 70599727
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide (CID 23566681) is N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)NC2COC(C(C)Cc3ccc(C(C)(C)C)cc3)OC2)c1O.
What is the InChIKey of N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide?
The InChIKey is DEFWHJPBLVIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-15-10-11-25-20(21(15)27)22(28)26-19-13-29-23(30-14-19)16(2)12-17-6-8-18(9-7-17)24(3,4)5/h6-11,16,19,23,27H,12-14H2,1-5H3,(H,26,28).
What are the key properties of N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide?
N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 23566681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).