1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide

C20H22N4O2 — CID 46964508

IUPAC1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide
SMILESCc1ccc2c(c1)c(C)c(C(=O)NCCNC(=O)c1ccccn1)n2C
InChIInChI=1S/C20H22N4O2/c1-13-7-8-17-15(12-13)14(2)18(24(17)3)20(26)23-11-10-22-19(25)16-6-4-5-9-21-16/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFCESVTMKKWCOPF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.35
Rot. Bonds5

About 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide

1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide (PubChem CID 46964508) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide
PubChem CID46964508
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide
SMILESCc1ccc2c(c1)c(C)c(C(=O)NCCNC(=O)c1ccccn1)n2C
InChIInChI=1S/C20H22N4O2/c1-13-7-8-17-15(12-13)14(2)18(24(17)3)20(26)23-11-10-22-19(25)16-6-4-5-9-21-16/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFCESVTMKKWCOPF-UHFFFAOYSA-N
XLogP2.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966196
N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide
CID 169317979
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966226
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
N-butyl-3-methyl-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377462
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide (CID 46964508) is 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide is Cc1ccc2c(c1)c(C)c(C(=O)NCCNC(=O)c1ccccn1)n2C.
What is the InChIKey of 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide?
The InChIKey is FCESVTMKKWCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-7-8-17-15(12-13)14(2)18(24(17)3)20(26)23-11-10-22-19(25)16-6-4-5-9-21-16/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide?
1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide is sourced from PubChem (CID 46964508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).