5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide

C21H24N6O3 — CID 134357033

IUPAC5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)CN3CCCC(C=O)=C3C(=O)N(C)C)cn2)cn1
InChIInChI=1S/C21H24N6O3/c1-14-6-7-15(9-22-14)17-10-24-18(11-23-17)25-19(29)12-27-8-4-5-16(13-28)20(27)21(30)26(2)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,24,25,29)
InChIKeyYBSFGSLOJLHENH-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.42
Rot. Bonds6

About 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide

5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 134357033) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID134357033
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)CN3CCCC(C=O)=C3C(=O)N(C)C)cn2)cn1
InChIInChI=1S/C21H24N6O3/c1-14-6-7-15(9-22-14)17-10-24-18(11-23-17)25-19(29)12-27-8-4-5-16(13-28)20(27)21(30)26(2)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,24,25,29)
InChIKeyYBSFGSLOJLHENH-UHFFFAOYSA-N
XLogP1.42
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide with MolForge

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Related Compounds

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
5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357038
5-formyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356964
N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356998
N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357045
1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356987
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenylpyrazin-2-yl)acetamide
CID 118174103
2-(6-ethyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 118183119
1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 144869203
N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357136
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888287
3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide
CID 134357274

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide (CID 134357033) is 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide is Cc1ccc(-c2cnc(NC(=O)CN3CCCC(C=O)=C3C(=O)N(C)C)cn2)cn1.
What is the InChIKey of 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is YBSFGSLOJLHENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-6-7-15(9-22-14)17-10-24-18(11-23-17)25-19(29)12-27-8-4-5-16(13-28)20(27)21(30)26(2)3/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,24,25,29).
What are the key properties of 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 134357033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).