4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

C20H21N5O2 — CID 58692567

IUPAC4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESNCCCNc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1
InChIInChI=1S/C20H21N5O2/c21-8-1-9-23-17-4-2-15(3-5-17)19(26)25-18-12-16(13-24-20(18)27)14-6-10-22-11-7-14/h2-7,10-13,23H,1,8-9,21H2,(H,24,27)(H,25,26)
InChIKeyYCKMYIBCIUEXCL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.45
Rot. Bonds7

About 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (PubChem CID 58692567) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
PubChem CID58692567
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESNCCCNc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1
InChIInChI=1S/C20H21N5O2/c21-8-1-9-23-17-4-2-15(3-5-17)19(26)25-18-12-16(13-24-20(18)27)14-6-10-22-11-7-14/h2-7,10-13,23H,1,8-9,21H2,(H,24,27)(H,25,26)
InChIKeyYCKMYIBCIUEXCL-UHFFFAOYSA-N
XLogP2.45
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.45
H-Bond Donors ≤ 54
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-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692666
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
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
CID 23339831
4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692562
3-hydroxy-5-pyridin-4-yl-1H-pyridin-2-one
CID 20517045
4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 88849005
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
CID 117074219
N-[3-[4-[(2-amino-5-pyridin-4-ylphenyl)carbamoyl]anilino]propyl]-N-propylpyrrolidine-1-carboxamide
CID 139332286
N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261253

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The IUPAC name of 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (CID 58692567) is 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is NCCCNc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.
What is the InChIKey of 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The InChIKey is YCKMYIBCIUEXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-8-1-9-23-17-4-2-15(3-5-17)19(26)25-18-12-16(13-24-20(18)27)14-6-10-22-11-7-14/h2-7,10-13,23H,1,8-9,21H2,(H,24,27)(H,25,26).
What are the key properties of 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 58692567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).