N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide

C25H28N4O — CID 69425820

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide
SMILESCCc1ccccc1NC1(C(=O)NCc2ccc(N)nc2C)Cc2ccccc2C1
InChIInChI=1S/C25H28N4O/c1-3-18-8-6-7-11-22(18)29-25(14-19-9-4-5-10-20(19)15-25)24(30)27-16-21-12-13-23(26)28-17(21)2/h4-13,29H,3,14-16H2,1-2H3,(H2,26,28)(H,27,30)
InChIKeyQQZJTDGAROXCLK-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.80
Rot. Bonds6

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide (PubChem CID 69425820) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide
PubChem CID69425820
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide
SMILESCCc1ccccc1NC1(C(=O)NCc2ccc(N)nc2C)Cc2ccccc2C1
InChIInChI=1S/C25H28N4O/c1-3-18-8-6-7-11-22(18)29-25(14-19-9-4-5-10-20(19)15-25)24(30)27-16-21-12-13-23(26)28-17(21)2/h4-13,29H,3,14-16H2,1-2H3,(H2,26,28)(H,27,30)
InChIKeyQQZJTDGAROXCLK-UHFFFAOYSA-N
XLogP3.80
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide with MolForge

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Related Compounds

2-[[(1R)-2-[[2-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-1,3-dihydroinden-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
CID 69426591
N-[(6-amino-2-methyl-3-pyridinyl)methyl]azetidine-2-carboxamide
CID 153286771
6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
CID 64694581
4-(2-ethylanilino)oxane-4-carboxylic acid
CID 114992560
[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
CID 175130377
2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
CID 60993681
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 147173808
N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 67030334
(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(4-methylnaphthalen-1-yl)methyl]pyrrolidine-2-carboxamide
CID 149338240
(3S)-N-(2-ethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 944283
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide (CID 69425820) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide is CCc1ccccc1NC1(C(=O)NCc2ccc(N)nc2C)Cc2ccccc2C1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide?
The InChIKey is QQZJTDGAROXCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-18-8-6-7-11-22(18)29-25(14-19-9-4-5-10-20(19)15-25)24(30)27-16-21-12-13-23(26)28-17(21)2/h4-13,29H,3,14-16H2,1-2H3,(H2,26,28)(H,27,30).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-(2-ethylanilino)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 69425820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).