N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide

C23H26N4O2 — CID 153436045

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide
SMILES[C-]#[N+]c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccn(C(CC)CC)c2c1
InChIInChI=1S/C23H26N4O2/c1-6-17(7-2)27-9-8-18-19(11-16(24-5)12-21(18)27)22(28)25-13-20-14(3)10-15(4)26-23(20)29/h8-12,17H,6-7,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyPTWPMQJBIADPNJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.79
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide (PubChem CID 153436045) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide
PubChem CID153436045
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide
SMILES[C-]#[N+]c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccn(C(CC)CC)c2c1
InChIInChI=1S/C23H26N4O2/c1-6-17(7-2)27-9-8-18-19(11-16(24-5)12-21(18)27)22(28)25-13-20-14(3)10-15(4)26-23(20)29/h8-12,17H,6-7,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyPTWPMQJBIADPNJ-UHFFFAOYSA-N
XLogP4.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 67467622
1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
CID 123591063
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide
CID 122448431
CID 88889052
CID 88889052
N-[(6-cyclobutyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-propan-2-ylindole-4-carboxamide
CID 123144808
6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 54670264
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18119515
7-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1H-quinoline-5-carboxamide
CID 164522603
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
CID 67468458
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide (CID 153436045) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide is [C-]#[N+]c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccn(C(CC)CC)c2c1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide?
The InChIKey is PTWPMQJBIADPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-6-17(7-2)27-9-8-18-19(11-16(24-5)12-21(18)27)22(28)25-13-20-14(3)10-15(4)26-23(20)29/h8-12,17H,6-7,13H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide is sourced from PubChem (CID 153436045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).