4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide

C22H33N3O3 — CID 60622821

IUPAC4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cn1
InChIInChI=1S/C22H33N3O3/c1-25(19-12-13-21(28-2)23-15-19)22(27)17-8-10-18(11-9-17)24-20(26)14-16-6-4-3-5-7-16/h12-13,15-18H,3-11,14H2,1-2H3,(H,24,26)
InChIKeyQTRDOKJTYPRGNR-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.70
Rot. Bonds6

About 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide

4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 60622821) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide
PubChem CID60622821
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cn1
InChIInChI=1S/C22H33N3O3/c1-25(19-12-13-21(28-2)23-15-19)22(27)17-8-10-18(11-9-17)24-20(26)14-16-6-4-3-5-7-16/h12-13,15-18H,3-11,14H2,1-2H3,(H,24,26)
InChIKeyQTRDOKJTYPRGNR-UHFFFAOYSA-N
XLogP3.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
CID 75418464
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
CID 115268661
(2R,3R)-2-ethyl-N-(6-methoxy-3-pyridinyl)-N-methyloxane-3-carboxamide
CID 129479274
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525
4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 86877844
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
(3S,4S)-N-(6-methoxy-3-pyridinyl)-N,1-dimethyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963455
4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 60619683
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119552192
2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91772366
2-cyclopentyl-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626028

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide (CID 60622821) is 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide is COc1ccc(N(C)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cn1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is QTRDOKJTYPRGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-25(19-12-13-21(28-2)23-15-19)22(27)17-8-10-18(11-9-17)24-20(26)14-16-6-4-3-5-7-16/h12-13,15-18H,3-11,14H2,1-2H3,(H,24,26).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide?
4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-(6-methoxy-3-pyridinyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 60622821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).