1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one

C28H28N4O3 — CID 170722718

IUPAC1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one
SMILESCOc1ccc(CNC2C[C@@H](Nc3ccc(-n4ccccc4=O)cn3)c3ccccc32)c(OC)c1
InChIInChI=1S/C28H28N4O3/c1-34-21-12-10-19(26(15-21)35-2)17-29-24-16-25(23-8-4-3-7-22(23)24)31-27-13-11-20(18-30-27)32-14-6-5-9-28(32)33/h3-15,18,24-25,29H,16-17H2,1-2H3,(H,30,31)/t24?,25-/m1/s1
InChIKeyZIHMUNSBJSSAIS-WUBHUQEYSA-N
MW468.56 g/mol
LogP4.64
Rot. Bonds8

About 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 170722718) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID170722718
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one
SMILESCOc1ccc(CNC2C[C@@H](Nc3ccc(-n4ccccc4=O)cn3)c3ccccc32)c(OC)c1
InChIInChI=1S/C28H28N4O3/c1-34-21-12-10-19(26(15-21)35-2)17-29-24-16-25(23-8-4-3-7-22(23)24)31-27-13-11-20(18-30-27)32-14-6-5-9-28(32)33/h3-15,18,24-25,29H,16-17H2,1-2H3,(H,30,31)/t24?,25-/m1/s1
InChIKeyZIHMUNSBJSSAIS-WUBHUQEYSA-N
XLogP4.64
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
1-[6-[[(1S,3S)-3-[(5-cyclopropyl-1,2,4-thiadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171512409
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100937
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100697
1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 161092924
1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one
CID 167167371
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one (CID 170722718) is 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one is COc1ccc(CNC2C[C@@H](Nc3ccc(-n4ccccc4=O)cn3)c3ccccc32)c(OC)c1.
What is the InChIKey of 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is ZIHMUNSBJSSAIS-WUBHUQEYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-34-21-12-10-19(26(15-21)35-2)17-29-24-16-25(23-8-4-3-7-22(23)24)31-27-13-11-20(18-30-27)32-14-6-5-9-28(32)33/h3-15,18,24-25,29H,16-17H2,1-2H3,(H,30,31)/t24?,25-/m1/s1.
What are the key properties of 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 468.56 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1R)-3-[(2,4-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 170722718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).