1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide

C20H31N3O2 — CID 24956045

IUPAC1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-15-13-21-18(12-17(15)14-23-8-10-25-11-9-23)22-19(24)20(3)7-5-4-6-16(20)2/h12-13,16H,4-11,14H2,1-3H3,(H,21,22,24)
InChIKeyXIFPDGUTQDJQGY-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.38
Rot. Bonds4

About 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide

1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 24956045) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID24956045
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-15-13-21-18(12-17(15)14-23-8-10-25-11-9-23)22-19(24)20(3)7-5-4-6-16(20)2/h12-13,16H,4-11,14H2,1-3H3,(H,21,22,24)
InChIKeyXIFPDGUTQDJQGY-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 100472
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
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(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 25222059
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
N-(4-methylpyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 24238955
1-Phenyl-N-2-pyridinylcyclopentanecarboxamide
CID 796266
3-cyclohexyl-N-(4-methylpyridin-2-yl)propanamide
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N-pyridin-2-yladamantane-1-carboxamide
CID 4219063

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 24956045) is 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide is Cc1cnc(NC(=O)C2(C)CCCCC2C)cc1CN1CCOCC1.
What is the InChIKey of 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is XIFPDGUTQDJQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-13-21-18(12-17(15)14-23-8-10-25-11-9-23)22-19(24)20(3)7-5-4-6-16(20)2/h12-13,16H,4-11,14H2,1-3H3,(H,21,22,24).
What are the key properties of 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 24956045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).