6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide

C25H31N5O3 — CID 144568414

IUPAC6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C2=CC=CNC2)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C25H31N5O3/c1-3-27-24(32)21-19-12-11-18(30(2)25(33)16-8-5-4-6-9-16)14-20(19)28-22(21)29-23(31)17-10-7-13-26-15-17/h7,10-14,16,26,28H,3-6,8-9,15H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyWGSXRQDKMNSXKK-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.44
Rot. Bonds6

About 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide

6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide (PubChem CID 144568414) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide
PubChem CID144568414
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C2=CC=CNC2)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C25H31N5O3/c1-3-27-24(32)21-19-12-11-18(30(2)25(33)16-8-5-4-6-9-16)14-20(19)28-22(21)29-23(31)17-10-7-13-26-15-17/h7,10-14,16,26,28H,3-6,8-9,15H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyWGSXRQDKMNSXKK-UHFFFAOYSA-N
XLogP3.44
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide?
The IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide (CID 144568414) is 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide is CCNC(=O)c1c(NC(=O)C2=CC=CNC2)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12.
What is the InChIKey of 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide?
The InChIKey is WGSXRQDKMNSXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-3-27-24(32)21-19-12-11-18(30(2)25(33)16-8-5-4-6-9-16)14-20(19)28-22(21)29-23(31)17-10-7-13-26-15-17/h7,10-14,16,26,28H,3-6,8-9,15H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide?
6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexanecarbonyl(methyl)amino]-2-(1,2-dihydropyridine-3-carbonylamino)-N-ethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 144568414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).