3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide

C21H19N5O4 — CID 134357274

IUPAC3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1c(C=O)c(=O)ccn1CC(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C21H19N5O4/c1-25(2)21(30)20-16(13-27)17(28)7-9-26(20)12-19(29)24-18-6-5-15(11-23-18)14-4-3-8-22-10-14/h3-11,13H,12H2,1-2H3,(H,23,24,29)
InChIKeyIXYGGLCYJOPWOF-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.46
Rot. Bonds6

About 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide

3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 134357274) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID134357274
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1c(C=O)c(=O)ccn1CC(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C21H19N5O4/c1-25(2)21(30)20-16(13-27)17(28)7-9-26(20)12-19(29)24-18-6-5-15(11-23-18)14-4-3-8-22-10-14/h3-11,13H,12H2,1-2H3,(H,23,24,29)
InChIKeyIXYGGLCYJOPWOF-UHFFFAOYSA-N
XLogP1.46
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
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CID 86764603
N,N-dimethyl-2-(2-pyridin-3-ylimidazol-1-yl)acetamide
CID 155915500
2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 162573899
N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-3-oxo-2-[(4-pyridin-3-ylbenzoyl)amino]propyl]oxamide
CID 58893800
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138589967
5-formyl-N,N-dimethyl-1-[2-[[5-(5-methylpyrazin-2-yl)-2-pyridinyl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357420
N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
CID 70935310
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55951935
N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide
CID 142612695
N-(5-phenyl-2-pyridinyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 138700717
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide (CID 134357274) is 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide is CN(C)C(=O)c1c(C=O)c(=O)ccn1CC(=O)Nc1ccc(-c2cccnc2)cn1.
What is the InChIKey of 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is IXYGGLCYJOPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-25(2)21(30)20-16(13-27)17(28)7-9-26(20)12-19(29)24-18-6-5-15(11-23-18)14-4-3-8-22-10-14/h3-11,13H,12H2,1-2H3,(H,23,24,29).
What are the key properties of 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide?
3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 134357274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).