5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide

C20H22N6O3 — CID 134357038

IUPAC5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCN(C)C(=O)C1=C(C=O)CCCN1CC(=O)Nc1ccc(-c2cncnc2)nc1
InChIInChI=1S/C20H22N6O3/c1-25(2)20(29)19-14(12-27)4-3-7-26(19)11-18(28)24-16-5-6-17(23-10-16)15-8-21-13-22-9-15/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,24,28)
InChIKeyIJZHZNKFMMAYHZ-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.11
Rot. Bonds6

About 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide

5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 134357038) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID134357038
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCN(C)C(=O)C1=C(C=O)CCCN1CC(=O)Nc1ccc(-c2cncnc2)nc1
InChIInChI=1S/C20H22N6O3/c1-25(2)20(29)19-14(12-27)4-3-7-26(19)11-18(28)24-16-5-6-17(23-10-16)15-8-21-13-22-9-15/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,24,28)
InChIKeyIJZHZNKFMMAYHZ-UHFFFAOYSA-N
XLogP1.11
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.11
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-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide with MolForge

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Related Compounds

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
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-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356964
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
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
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 122652940
ethane;1-[2-[[(E)-1-[(5-fluoro-3-pyridinyl)methylimino]but-2-en-2-yl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 144869138
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
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
CID 118174120
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-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
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

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of 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) is 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide is CN(C)C(=O)C1=C(C=O)CCCN1CC(=O)Nc1ccc(-c2cncnc2)nc1.
What is the InChIKey of 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is IJZHZNKFMMAYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-25(2)20(29)19-14(12-27)4-3-7-26(19)11-18(28)24-16-5-6-17(23-10-16)15-8-21-13-22-9-15/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,24,28).
What are the key properties of 5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.11, 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-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 134357038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).