6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide

C26H31FN4O3 — CID 144568392

IUPAC6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)C2=CC(F)=CCC2C)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C26H31FN4O3/c1-15-9-10-17(27)13-20(15)24(32)30-23-22(25(33)28-2)19-12-11-18(14-21(19)29-23)31(3)26(34)16-7-5-4-6-8-16/h10-16,29H,4-9H2,1-3H3,(H,28,33)(H,30,32)
InChIKeyAVSPUFYEKXUWGP-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.83
Rot. Bonds5

About 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide

6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide (PubChem CID 144568392) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide
PubChem CID144568392
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)C2=CC(F)=CCC2C)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C26H31FN4O3/c1-15-9-10-17(27)13-20(15)24(32)30-23-22(25(33)28-2)19-12-11-18(14-21(19)29-23)31(3)26(34)16-7-5-4-6-8-16/h10-16,29H,4-9H2,1-3H3,(H,28,33)(H,30,32)
InChIKeyAVSPUFYEKXUWGP-UHFFFAOYSA-N
XLogP4.83
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73055443
6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73055442
N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 73056034
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide
CID 123744950
6-[cyclopentanecarbonyl(methyl)amino]-N-ethyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73054304
6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide
CID 144568414
ethyl 6-[cyclohexanecarbonyl(methyl)amino]-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxylate
CID 73056316
2-[(4-cyanocyclohexa-1,3-diene-1-carbonyl)amino]-6-[cyclohexanecarbonyl(methyl)amino]-1H-indole-3-carboxamide
CID 123513734
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide
CID 123589698
2-[[(E)-3-amino-2-(cyanomethyl)prop-2-enoyl]amino]-6-[cyclohexanecarbonyl(methyl)amino]-N-ethyl-1H-indole-3-carboxamide
CID 144568359
N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
CID 110869220
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide (CID 144568392) is 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide is CNC(=O)c1c(NC(=O)C2=CC(F)=CCC2C)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12.
What is the InChIKey of 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is AVSPUFYEKXUWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-15-9-10-17(27)13-20(15)24(32)30-23-22(25(33)28-2)19-12-11-18(14-21(19)29-23)31(3)26(34)16-7-5-4-6-8-16/h10-16,29H,4-9H2,1-3H3,(H,28,33)(H,30,32).
What are the key properties of 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide?
6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 144568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).