2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide

C26H29N5O4 — CID 70280685

IUPAC2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide
SMILESC=C(C(N)=O)C1=C(N(N)c2ccc(OC)cc2)C(=O)N(c2ccc(N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C26H29N5O4/c1-17(25(27)33)22-14-16-30(19-8-6-18(7-9-19)29-15-4-3-5-23(29)32)26(34)24(22)31(28)20-10-12-21(35-2)13-11-20/h6-13H,1,3-5,14-16,28H2,2H3,(H2,27,33)
InChIKeyBPKXLHZFQSJYCH-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.62
Rot. Bonds7

About 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide

2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide (PubChem CID 70280685) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide
PubChem CID70280685
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide
SMILESC=C(C(N)=O)C1=C(N(N)c2ccc(OC)cc2)C(=O)N(c2ccc(N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C26H29N5O4/c1-17(25(27)33)22-14-16-30(19-8-6-18(7-9-19)29-15-4-3-5-23(29)32)26(34)24(22)31(28)20-10-12-21(35-2)13-11-20/h6-13H,1,3-5,14-16,28H2,2H3,(H2,27,33)
InChIKeyBPKXLHZFQSJYCH-UHFFFAOYSA-N
XLogP2.62
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)azepan-2-one
CID 66742326
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
1-(2,4-dimethoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086903
1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10273395
3-[amino(hydroxy)methyl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 123999276
methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 166529379
1-(4-methoxyphenyl)-7-oxo-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 163543726
1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498651
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide
CID 59841823
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329

Frequently Asked Questions

What is the IUPAC name of 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide?
The IUPAC name of 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide (CID 70280685) is 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide.
What is the SMILES notation for 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide?
The canonical SMILES for 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide is C=C(C(N)=O)C1=C(N(N)c2ccc(OC)cc2)C(=O)N(c2ccc(N3CCCCC3=O)cc2)CC1.
What is the InChIKey of 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide?
The InChIKey is BPKXLHZFQSJYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17(25(27)33)22-14-16-30(19-8-6-18(7-9-19)29-15-4-3-5-23(29)32)26(34)24(22)31(28)20-10-12-21(35-2)13-11-20/h6-13H,1,3-5,14-16,28H2,2H3,(H2,27,33).
What are the key properties of 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide?
2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide has a molecular weight of 475.55 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide is sourced from PubChem (CID 70280685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).