N-octyl-1-pyrimidin-2-ylindole-2-carboxamide

C21H26N4O — CID 142734736

IUPACN-octyl-1-pyrimidin-2-ylindole-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C21H26N4O/c1-2-3-4-5-6-9-13-22-20(26)19-16-17-11-7-8-12-18(17)25(19)21-23-14-10-15-24-21/h7-8,10-12,14-16H,2-6,9,13H2,1H3,(H,22,26)
InChIKeyRYTCPKOCGPDNLW-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.51
Rot. Bonds9

About N-octyl-1-pyrimidin-2-ylindole-2-carboxamide

N-octyl-1-pyrimidin-2-ylindole-2-carboxamide (PubChem CID 142734736) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-octyl-1-pyrimidin-2-ylindole-2-carboxamide.

Molecular Properties

Compound NameN-octyl-1-pyrimidin-2-ylindole-2-carboxamide
PubChem CID142734736
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-octyl-1-pyrimidin-2-ylindole-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C21H26N4O/c1-2-3-4-5-6-9-13-22-20(26)19-16-17-11-7-8-12-18(17)25(19)21-23-14-10-15-24-21/h7-8,10-12,14-16H,2-6,9,13H2,1H3,(H,22,26)
InChIKeyRYTCPKOCGPDNLW-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-methoxy-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377454
N-butyl-3-methyl-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377462
N-octylquinoline-6-carboxamide
CID 68863650
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
dimethyl 2-(1-pyrimidin-2-ylindol-2-yl)propanedioate
CID 132564908
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215

Frequently Asked Questions

What is the IUPAC name of N-octyl-1-pyrimidin-2-ylindole-2-carboxamide?
The IUPAC name of N-octyl-1-pyrimidin-2-ylindole-2-carboxamide (CID 142734736) is N-octyl-1-pyrimidin-2-ylindole-2-carboxamide.
What is the SMILES notation for N-octyl-1-pyrimidin-2-ylindole-2-carboxamide?
The canonical SMILES for N-octyl-1-pyrimidin-2-ylindole-2-carboxamide is CCCCCCCCNC(=O)c1cc2ccccc2n1-c1ncccn1.
What is the InChIKey of N-octyl-1-pyrimidin-2-ylindole-2-carboxamide?
The InChIKey is RYTCPKOCGPDNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-3-4-5-6-9-13-22-20(26)19-16-17-11-7-8-12-18(17)25(19)21-23-14-10-15-24-21/h7-8,10-12,14-16H,2-6,9,13H2,1H3,(H,22,26).
What are the key properties of N-octyl-1-pyrimidin-2-ylindole-2-carboxamide?
N-octyl-1-pyrimidin-2-ylindole-2-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1-pyrimidin-2-ylindole-2-carboxamide is sourced from PubChem (CID 142734736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).