N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde

C25H30N4O4 — CID 145208929

IUPACN-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
SMILESC=O.CC.CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(CO)C3)ccn1
InChIInChI=1S/C22H22N4O3.C2H6.CH2O/c1-13(28)24-19-11-15(7-8-23-19)21-22(25-16-5-3-2-4-6-16)20-17(26-21)9-14(12-27)10-18(20)29;2*1-2/h2-8,11,14,25-27H,9-10,12H2,1H3,(H,23,24,28);1-2H3;1H2
InChIKeyGRFMDIHORCJICU-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.36
Rot. Bonds5

About N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde

N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde (PubChem CID 145208929) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde.

Molecular Properties

Compound NameN-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
PubChem CID145208929
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
SMILESC=O.CC.CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(CO)C3)ccn1
InChIInChI=1S/C22H22N4O3.C2H6.CH2O/c1-13(28)24-19-11-15(7-8-23-19)21-22(25-16-5-3-2-4-6-16)20-17(26-21)9-14(12-27)10-18(20)29;2*1-2/h2-8,11,14,25-27H,9-10,12H2,1H3,(H,23,24,28);1-2H3;1H2
InChIKeyGRFMDIHORCJICU-UHFFFAOYSA-N
XLogP4.36
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 146516114
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
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
N-[4-[(4aR,5aR)-3-anilino-5a-methyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 126520358
N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide
CID 134563179
N-[4-[3-anilino-4-oxo-6-(propan-2-ylsulfonylmethyl)-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]morpholine-4-carboxamide
CID 134563143
N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 135303014
[3-anilino-2-[2-(methanesulfonamido)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindol-6-yl]methyl methanesulfonate
CID 134582079
2-fluoroethyl 2-(2-acetamido-4-pyridinyl)-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246461
cis-(1S,2S)-N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118613218
2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
CID 129246434
cis-(1R,2R)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118607079

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde?
The IUPAC name of N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde (CID 145208929) is N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde.
What is the SMILES notation for N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde?
The canonical SMILES for N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde is C=O.CC.CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(CO)C3)ccn1.
What is the InChIKey of N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde?
The InChIKey is GRFMDIHORCJICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3.C2H6.CH2O/c1-13(28)24-19-11-15(7-8-23-19)21-22(25-16-5-3-2-4-6-16)20-17(26-21)9-14(12-27)10-18(20)29;2*1-2/h2-8,11,14,25-27H,9-10,12H2,1H3,(H,23,24,28);1-2H3;1H2.
What are the key properties of N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde?
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde has a molecular weight of 450.54 g/mol, XLogP of 4.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde is sourced from PubChem (CID 145208929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).