N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide

C25H27N5O2 — CID 11690504

IUPACN-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide
SMILESCOCCN(C)c1cc(C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)nc(-c2ccncc2)c1
InChIInChI=1S/C25H27N5O2/c1-16-17(2)27-22-6-5-19(13-21(16)22)28-25(31)24-15-20(30(3)11-12-32-4)14-23(29-24)18-7-9-26-10-8-18/h5-10,13-15,27H,11-12H2,1-4H3,(H,28,31)
InChIKeyJUXQGYJSHCVAOF-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.58
Rot. Bonds7

About N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide

N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 11690504) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide
PubChem CID11690504
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide
SMILESCOCCN(C)c1cc(C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)nc(-c2ccncc2)c1
InChIInChI=1S/C25H27N5O2/c1-16-17(2)27-22-6-5-19(13-21(16)22)28-25(31)24-15-20(30(3)11-12-32-4)14-23(29-24)18-7-9-26-10-8-18/h5-10,13-15,27H,11-12H2,1-4H3,(H,28,31)
InChIKeyJUXQGYJSHCVAOF-UHFFFAOYSA-N
XLogP4.58
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide (CID 11690504) is N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide is COCCN(C)c1cc(C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)nc(-c2ccncc2)c1.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is JUXQGYJSHCVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-17(2)27-22-6-5-19(13-21(16)22)28-25(31)24-15-20(30(3)11-12-32-4)14-23(29-24)18-7-9-26-10-8-18/h5-10,13-15,27H,11-12H2,1-4H3,(H,28,31).
What are the key properties of N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide?
N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-5-yl)-4-[2-methoxyethyl(methyl)amino]-6-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 11690504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).