1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide

C24H29N3O2 — CID 112772126

IUPAC1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NC(C)c1cccnc1)c(C)n2C1CCCCC1
InChIInChI=1S/C24H29N3O2/c1-16(18-8-7-13-25-15-18)26-24(28)23-17(2)27(19-9-5-4-6-10-19)22-12-11-20(29-3)14-21(22)23/h7-8,11-16,19H,4-6,9-10H2,1-3H3,(H,26,28)
InChIKeyIAJDDUVLSVVJIF-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.35
Rot. Bonds5

About 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide

1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide (PubChem CID 112772126) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
PubChem CID112772126
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NC(C)c1cccnc1)c(C)n2C1CCCCC1
InChIInChI=1S/C24H29N3O2/c1-16(18-8-7-13-25-15-18)26-24(28)23-17(2)27(19-9-5-4-6-10-19)22-12-11-20(29-3)14-21(22)23/h7-8,11-16,19H,4-6,9-10H2,1-3H3,(H,26,28)
InChIKeyIAJDDUVLSVVJIF-UHFFFAOYSA-N
XLogP5.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide
CID 112799090
1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide
CID 4842459
1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide
CID 112827378
1-cyclopropyl-5-methoxy-2-methyl-N-(5-methylhexan-2-yl)indole-3-carboxamide
CID 17429408
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
CID 112767949
1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide
CID 112820584
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
CID 112842247
1-cyclohexyl-5-methoxy-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-3-carboxamide
CID 112819708
1-cyclohexyl-N-[2-(dimethylamino)-1-(2-methylphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166326615
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide (CID 112772126) is 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NC(C)c1cccnc1)c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide?
The InChIKey is IAJDDUVLSVVJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(18-8-7-13-25-15-18)26-24(28)23-17(2)27(19-9-5-4-6-10-19)22-12-11-20(29-3)14-21(22)23/h7-8,11-16,19H,4-6,9-10H2,1-3H3,(H,26,28).
What are the key properties of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide?
1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 112772126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).