N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane

C27H40N6O — CID 142923601

IUPACN-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane
SMILESCC.CC.CCN(CC)CCCNC(=O)c1ccc2cc(-c3ccnc4nc(C)[nH]c34)[nH]c2c1
InChIInChI=1S/C23H28N6O.2C2H6/c1-4-29(5-2)12-6-10-25-23(30)17-8-7-16-13-20(28-19(16)14-17)18-9-11-24-22-21(18)26-15(3)27-22;2*1-2/h7-9,11,13-14,28H,4-6,10,12H2,1-3H3,(H,25,30)(H,24,26,27);2*1-2H3
InChIKeyKDKATRUCCZVYCF-UHFFFAOYSA-N
MW464.66 g/mol
LogP5.93
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane

N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane (PubChem CID 142923601) has the molecular formula C27H40N6O and a molecular weight of 464.66 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane
PubChem CID142923601
Molecular FormulaC27H40N6O
Molecular Weight464.66 g/mol
Exact Mass464.33
IUPAC NameN-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane
SMILESCC.CC.CCN(CC)CCCNC(=O)c1ccc2cc(-c3ccnc4nc(C)[nH]c34)[nH]c2c1
InChIInChI=1S/C23H28N6O.2C2H6/c1-4-29(5-2)12-6-10-25-23(30)17-8-7-16-13-20(28-19(16)14-17)18-9-11-24-22-21(18)26-15(3)27-22;2*1-2/h7-9,11,13-14,28H,4-6,10,12H2,1-3H3,(H,25,30)(H,24,26,27);2*1-2H3
InChIKeyKDKATRUCCZVYCF-UHFFFAOYSA-N
XLogP5.93
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide
CID 59640076
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide
CID 70809355
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
methane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine
CID 159953415
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane (CID 142923601) is N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane is CC.CC.CCN(CC)CCCNC(=O)c1ccc2cc(-c3ccnc4nc(C)[nH]c34)[nH]c2c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane?
The InChIKey is KDKATRUCCZVYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.2C2H6/c1-4-29(5-2)12-6-10-25-23(30)17-8-7-16-13-20(28-19(16)14-17)18-9-11-24-22-21(18)26-15(3)27-22;2*1-2/h7-9,11,13-14,28H,4-6,10,12H2,1-3H3,(H,25,30)(H,24,26,27);2*1-2H3.
What are the key properties of N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane?
N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane has a molecular weight of 464.66 g/mol, XLogP of 5.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide;ethane is sourced from PubChem (CID 142923601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).