1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide

C20H24N4O2 — CID 25469709

IUPAC1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C)n3)CC2)n1
InChIInChI=1S/C20H24N4O2/c1-13-5-3-7-17(21-13)23-19(25)15-9-11-16(12-10-15)20(26)24-18-8-4-6-14(2)22-18/h3-8,15-16H,9-12H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyAGOLYPXNOJBKKZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.48
Rot. Bonds4

About 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide (PubChem CID 25469709) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
PubChem CID25469709
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C)n3)CC2)n1
InChIInChI=1S/C20H24N4O2/c1-13-5-3-7-17(21-13)23-19(25)15-9-11-16(12-10-15)20(26)24-18-8-4-6-14(2)22-18/h3-8,15-16H,9-12H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyAGOLYPXNOJBKKZ-UHFFFAOYSA-N
XLogP3.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-4-carboxamide
CID 94821290
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 47056927
N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47090227
4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 6621139
N-(6-methyl-2-pyridinyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935097

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide (CID 25469709) is 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C)n3)CC2)n1.
What is the InChIKey of 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is AGOLYPXNOJBKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-5-3-7-17(21-13)23-19(25)15-9-11-16(12-10-15)20(26)24-18-8-4-6-14(2)22-18/h3-8,15-16H,9-12H2,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 25469709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).