1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

C18H26N2O2 — CID 134709446

IUPAC1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CCCCC1
InChIInChI=1S/C18H26N2O2/c1-18(7-3-2-4-8-18)17(21)20-16-13-22-12-15(16)11-14-5-9-19-10-6-14/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyQDCYDNLJZAALRO-CVEARBPZSA-N
MW302.42 g/mol
LogP2.73
Rot. Bonds4

About 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (PubChem CID 134709446) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
PubChem CID134709446
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CCCCC1
InChIInChI=1S/C18H26N2O2/c1-18(7-3-2-4-8-18)17(21)20-16-13-22-12-15(16)11-14-5-9-19-10-6-14/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyQDCYDNLJZAALRO-CVEARBPZSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-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-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 154918766
1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134713666
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
1-(4-ethylphenyl)-3-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 156584114
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (CID 134709446) is 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is CC1(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CCCCC1.
What is the InChIKey of 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is QDCYDNLJZAALRO-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(7-3-2-4-8-18)17(21)20-16-13-22-12-15(16)11-14-5-9-19-10-6-14/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,20,21)/t15-,16+/m1/s1.
What are the key properties of 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 134709446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).