N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C22H21N5O2 — CID 22249437

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)N1CCc2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
InChIInChI=1S/C22H21N5O2/c1-15(28)27-12-8-17-4-5-18(13-20(17)27)26-22(29)19-3-2-9-24-21(19)25-14-16-6-10-23-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H,24,25)(H,26,29)
InChIKeySMYFIVSTUSZAQE-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.25
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 22249437) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID22249437
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)N1CCc2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21
InChIInChI=1S/C22H21N5O2/c1-15(28)27-12-8-17-4-5-18(13-20(17)27)26-22(29)19-3-2-9-24-21(19)25-14-16-6-10-23-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H,24,25)(H,26,29)
InChIKeySMYFIVSTUSZAQE-UHFFFAOYSA-N
XLogP3.25
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,3-dimethyl-1-(pyrrolidin-1-ylmethyl)-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10456774
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 149238261
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 22249437) is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is CC(=O)N1CCc2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is SMYFIVSTUSZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15(28)27-12-8-17-4-5-18(13-20(17)27)26-22(29)19-3-2-9-24-21(19)25-14-16-6-10-23-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H,24,25)(H,26,29).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 22249437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).