N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide

C23H31N3O2 — CID 69165420

IUPACN-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NCc2cc(-c3cc(C)nc(C)c3)ccc2OC)CC1
InChIInChI=1S/C23H31N3O2/c1-15-11-19(12-16(2)26-15)18-7-10-22(28-4)20(13-18)14-25-23(27)17-5-8-21(24-3)9-6-17/h7,10-13,17,21,24H,5-6,8-9,14H2,1-4H3,(H,25,27)
InChIKeyKWNKUZOCKGWUFL-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.77
Rot. Bonds6

About N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide

N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 69165420) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID69165420
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NCc2cc(-c3cc(C)nc(C)c3)ccc2OC)CC1
InChIInChI=1S/C23H31N3O2/c1-15-11-19(12-16(2)26-15)18-7-10-22(28-4)20(13-18)14-25-23(27)17-5-8-21(24-3)9-6-17/h7,10-13,17,21,24H,5-6,8-9,14H2,1-4H3,(H,25,27)
InChIKeyKWNKUZOCKGWUFL-UHFFFAOYSA-N
XLogP3.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[[5-(3-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;hydrochloride
CID 69166880
N-[[5-[4-[acetyl(methyl)amino]phenyl]-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166607
N-[[2-methoxy-5-(3-methylsulfanylphenyl)phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;hydrochloride
CID 69165871
N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165743
N-[[5-(4-cyanophenyl)-2-ethoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166384
N-[[2-fluoro-5-[4-(methylamino)phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;dihydrochloride
CID 69186915
N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 87719518
3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-fluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24954396
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
1-[3-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone;hydrochloride
CID 69166885
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
CID 69166582

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (CID 69165420) is N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(C(=O)NCc2cc(-c3cc(C)nc(C)c3)ccc2OC)CC1.
What is the InChIKey of N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is KWNKUZOCKGWUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-15-11-19(12-16(2)26-15)18-7-10-22(28-4)20(13-18)14-25-23(27)17-5-8-21(24-3)9-6-17/h7,10-13,17,21,24H,5-6,8-9,14H2,1-4H3,(H,25,27).
What are the key properties of N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 69165420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).