4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide

C27H30N6O4 — CID 67432616

IUPAC4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(CNc2cc(N(C(C)=O)c3ccc(N4CCOCC4)cc3)ncc2C(N)=O)c1
InChIInChI=1S/C27H30N6O4/c1-18(34)31-21-5-3-4-20(14-21)16-29-25-15-26(30-17-24(25)27(28)36)33(19(2)35)23-8-6-22(7-9-23)32-10-12-37-13-11-32/h3-9,14-15,17H,10-13,16H2,1-2H3,(H2,28,36)(H,29,30)(H,31,34)
InChIKeyDFFOBEXUYNJUTR-UHFFFAOYSA-N
MW502.58 g/mol
LogP3.27
Rot. Bonds8

About 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide

4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 67432616) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID67432616
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC Name4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(CNc2cc(N(C(C)=O)c3ccc(N4CCOCC4)cc3)ncc2C(N)=O)c1
InChIInChI=1S/C27H30N6O4/c1-18(34)31-21-5-3-4-20(14-21)16-29-25-15-26(30-17-24(25)27(28)36)33(19(2)35)23-8-6-22(7-9-23)32-10-12-37-13-11-32/h3-9,14-15,17H,10-13,16H2,1-2H3,(H2,28,36)(H,29,30)(H,31,34)
InChIKeyDFFOBEXUYNJUTR-UHFFFAOYSA-N
XLogP3.27
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(N-acetyl-4-morpholin-4-ylanilino)-4-[[3-(2-oxopropyl)phenyl]methylamino]pyridine-3-carboxamide
CID 58450488
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-[[3-(methylsulfonylmethyl)phenyl]methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450705
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763033
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide
CID 58450654
6-(2-chloro-4-morpholin-4-ylanilino)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450660
6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 174998817
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638692
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223

Frequently Asked Questions

What is the IUPAC name of 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 67432616) is 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide is CC(=O)Nc1cccc(CNc2cc(N(C(C)=O)c3ccc(N4CCOCC4)cc3)ncc2C(N)=O)c1.
What is the InChIKey of 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is DFFOBEXUYNJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-18(34)31-21-5-3-4-20(14-21)16-29-25-15-26(30-17-24(25)27(28)36)33(19(2)35)23-8-6-22(7-9-23)32-10-12-37-13-11-32/h3-9,14-15,17H,10-13,16H2,1-2H3,(H2,28,36)(H,29,30)(H,31,34).
What are the key properties of 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide?
4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 502.58 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-acetamidophenyl)methylamino]-6-(N-acetyl-4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67432616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).