N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C21H26N2O4 — CID 126784792

IUPACN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccnc(OC3CCOC3)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,16-4-6-17(25-3)7-5-16)14-23-20(24)15-8-10-22-19(12-15)27-18-9-11-26-13-18/h4-8,10,12,18H,9,11,13-14H2,1-3H3,(H,23,24)
InChIKeyNMGXIMDOOCLWMQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 126784792) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID126784792
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccnc(OC3CCOC3)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,16-4-6-17(25-3)7-5-16)14-23-20(24)15-8-10-22-19(12-15)27-18-9-11-26-13-18/h4-8,10,12,18H,9,11,13-14H2,1-3H3,(H,23,24)
InChIKeyNMGXIMDOOCLWMQ-UHFFFAOYSA-N
XLogP2.97
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
(2S)-4-methyl-2-[[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120695356
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124615990
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120533755
2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75504546

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 126784792) is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is COc1ccc(C(C)(C)CNC(=O)c2ccnc(OC3CCOC3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is NMGXIMDOOCLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,16-4-6-17(25-3)7-5-16)14-23-20(24)15-8-10-22-19(12-15)27-18-9-11-26-13-18/h4-8,10,12,18H,9,11,13-14H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 126784792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).