N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide

C25H34N2O5 — CID 123222042

IUPACN-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide
SMILESCCC1CCC(COCO)(NC(=O)c2cnc(OC)c(OCCc3ccccc3)c2)CC1
InChIInChI=1S/C25H34N2O5/c1-3-19-9-12-25(13-10-19,17-31-18-28)27-23(29)21-15-22(24(30-2)26-16-21)32-14-11-20-7-5-4-6-8-20/h4-8,15-16,19,28H,3,9-14,17-18H2,1-2H3,(H,27,29)
InChIKeyBTWGYPAYGYSPRA-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.75
Rot. Bonds11

About N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide

N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide (PubChem CID 123222042) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide
PubChem CID123222042
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC NameN-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide
SMILESCCC1CCC(COCO)(NC(=O)c2cnc(OC)c(OCCc3ccccc3)c2)CC1
InChIInChI=1S/C25H34N2O5/c1-3-19-9-12-25(13-10-19,17-31-18-28)27-23(29)21-15-22(24(30-2)26-16-21)32-14-11-20-7-5-4-6-8-20/h4-8,15-16,19,28H,3,9-14,17-18H2,1-2H3,(H,27,29)
InChIKeyBTWGYPAYGYSPRA-UHFFFAOYSA-N
XLogP3.75
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-[2-(3-chlorophenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-ethylcycloheptane-1-carboxylic acid
CID 123455404
1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168913
methyl 1-[(5-bromo-6-methoxypyridine-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylate
CID 67169115
4-ethyl-1-[2-[3-fluoro-5-[2-[3-(2-hydroxyethyl)phenyl]ethoxy]-4-methoxyphenyl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161115945
4-ethyl-1-[[3-[2-(3-methylphenyl)ethoxy]-4-(oxetan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67170579
1-[[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170994
methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate
CID 140597941
4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341548
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
2-[7-bromo-8-fluoro-6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 175505130
4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 100652190

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide (CID 123222042) is N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide is CCC1CCC(COCO)(NC(=O)c2cnc(OC)c(OCCc3ccccc3)c2)CC1.
What is the InChIKey of N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide?
The InChIKey is BTWGYPAYGYSPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-3-19-9-12-25(13-10-19,17-31-18-28)27-23(29)21-15-22(24(30-2)26-16-21)32-14-11-20-7-5-4-6-8-20/h4-8,15-16,19,28H,3,9-14,17-18H2,1-2H3,(H,27,29).
What are the key properties of N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide?
N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 123222042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).