3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide

C24H21N5O4 — CID 3423835

IUPAC3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)Nc3cccc(C)n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N5O4/c1-15-6-5-9-20(26-15)27-21(30)14-25-23(31)22-18-7-3-4-8-19(18)24(32)29(28-22)16-10-12-17(33-2)13-11-16/h3-13H,14H2,1-2H3,(H,25,31)(H,26,27,30)
InChIKeyNALKVBQKSLASBX-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.47
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide

3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 3423835) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
PubChem CID3423835
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)Nc3cccc(C)n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N5O4/c1-15-6-5-9-20(26-15)27-21(30)14-25-23(31)22-18-7-3-4-8-19(18)24(32)29(28-22)16-10-12-17(33-2)13-11-16/h3-13H,14H2,1-2H3,(H,25,31)(H,26,27,30)
InChIKeyNALKVBQKSLASBX-UHFFFAOYSA-N
XLogP2.47
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830706
N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24831013
N-(2-(2-(4-methoxyphenyl)-6-(3-methylbenzylamino)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24831014
(4E)-4-[(4-methoxyanilino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione
CID 1857723
2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide
CID 3237403
3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide
CID 11957249
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
CID 15990782
N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
CID 15990784
N-{3-[benzyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
CID 16034274
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 16034359
2-[(4-methoxyphenyl)amino]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}quinoline-4-carboxamide
CID 16034361

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide (CID 3423835) is 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cccc(C)n3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is NALKVBQKSLASBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-15-6-5-9-20(26-15)27-21(30)14-25-23(31)22-18-7-3-4-8-19(18)24(32)29(28-22)16-10-12-17(33-2)13-11-16/h3-13H,14H2,1-2H3,(H,25,31)(H,26,27,30).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3423835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).