N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide

C22H22N4O2 — CID 134563179

IUPACN-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide
SMILESCC(=O)NCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1
InChIInChI=1S/C22H22N4O2/c1-14(27)24-13-15-11-18-20(19(28)12-15)22(25-17-5-3-2-4-6-17)21(26-18)16-7-9-23-10-8-16/h2-10,15,25-26H,11-13H2,1H3,(H,24,27)
InChIKeyZMIJNHMAIVVJNI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.70
Rot. Bonds5

About N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide

N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide (PubChem CID 134563179) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide
PubChem CID134563179
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide
SMILESCC(=O)NCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1
InChIInChI=1S/C22H22N4O2/c1-14(27)24-13-15-11-18-20(19(28)12-15)22(25-17-5-3-2-4-6-17)21(26-18)16-7-9-23-10-8-16/h2-10,15,25-26H,11-13H2,1H3,(H,24,27)
InChIKeyZMIJNHMAIVVJNI-UHFFFAOYSA-N
XLogP3.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]propanamide
CID 134563216
3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 140892969
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929
N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 146516114
N-[[2-(2-acetamido-4-pyridinyl)-3-anilino-4-oxo-1,5,6,7-tetrahydroindol-6-yl]methyl]-1-methoxy-4-phenylcyclohexa-2,4-diene-1-carboxamide
CID 146458241
3-anilino-N-methyl-N-(2-nitroethyl)-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
CID 147910091
3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
CID 129246322
methyl 3-(3-fluoroanilino)-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxylate
CID 146516174
2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582000
[3-anilino-2-[2-(methanesulfonamido)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindol-6-yl]methyl methanesulfonate
CID 134582079
3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 122442125
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075

Frequently Asked Questions

What is the IUPAC name of N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide?
The IUPAC name of N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide (CID 134563179) is N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide?
The canonical SMILES for N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide is CC(=O)NCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1.
What is the InChIKey of N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide?
The InChIKey is ZMIJNHMAIVVJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(27)24-13-15-11-18-20(19(28)12-15)22(25-17-5-3-2-4-6-17)21(26-18)16-7-9-23-10-8-16/h2-10,15,25-26H,11-13H2,1H3,(H,24,27).
What are the key properties of N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide?
N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide is sourced from PubChem (CID 134563179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).