4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

C22H25N5O2 — CID 58692666

IUPAC4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1
InChIInChI=1S/C22H25N5O2/c1-27(2)13-3-10-24-19-6-4-17(5-7-19)21(28)26-20-14-18(15-25-22(20)29)16-8-11-23-12-9-16/h4-9,11-12,14-15,24H,3,10,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKEQQBKFXXLOIEN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.05
Rot. Bonds8

About 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (PubChem CID 58692666) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
PubChem CID58692666
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1
InChIInChI=1S/C22H25N5O2/c1-27(2)13-3-10-24-19-6-4-17(5-7-19)21(28)26-20-14-18(15-25-22(20)29)16-8-11-23-12-9-16/h4-9,11-12,14-15,24H,3,10,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKEQQBKFXXLOIEN-UHFFFAOYSA-N
XLogP3.05
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692567
4-cyano-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 11536964
4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
CID 117074156
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692562
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
N-[3-[4-[(2-amino-5-pyridin-4-ylphenyl)carbamoyl]anilino]propyl]-N-propylpyrrolidine-1-carboxamide
CID 139332286
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-5-phenylfuran-3-carboxamide
CID 11530819
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (CID 58692666) is 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is CN(C)CCCNc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The InChIKey is KEQQBKFXXLOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27(2)13-3-10-24-19-6-4-17(5-7-19)21(28)26-20-14-18(15-25-22(20)29)16-8-11-23-12-9-16/h4-9,11-12,14-15,24H,3,10,13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 58692666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).