1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine

C23H30N4O3 — CID 145267553

IUPAC1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
SMILESCNC(=O)c1cc(C=O)cn(Cc2ccccc2)c1=O.CNC1CC2(CC(N)C2)C1
InChIInChI=1S/C15H14N2O3.C8H16N2/c1-16-14(19)13-7-12(10-18)9-17(15(13)20)8-11-5-3-2-4-6-11;1-10-7-4-8(5-7)2-6(9)3-8/h2-7,9-10H,8H2,1H3,(H,16,19);6-7,10H,2-5,9H2,1H3
InChIKeyWDPVNHUYDMZPEZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.54
Rot. Bonds5

About 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine

1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine (PubChem CID 145267553) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine.

Molecular Properties

Compound Name1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
PubChem CID145267553
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine
SMILESCNC(=O)c1cc(C=O)cn(Cc2ccccc2)c1=O.CNC1CC2(CC(N)C2)C1
InChIInChI=1S/C15H14N2O3.C8H16N2/c1-16-14(19)13-7-12(10-18)9-17(15(13)20)8-11-5-3-2-4-6-11;1-10-7-4-8(5-7)2-6(9)3-8/h2-7,9-10H,8H2,1H3,(H,16,19);6-7,10H,2-5,9H2,1H3
InChIKeyWDPVNHUYDMZPEZ-UHFFFAOYSA-N
XLogP1.54
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-fluoromethanamine;5-formyl-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 145267435
1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate
CID 145267523
5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 145267548
5-formyl-N-methyl-2-oxo-1-[[3-[(Z)-pent-2-en-2-yl]phenyl]methyl]pyridine-3-carboxamide;methanol
CID 145267547
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
1-benzyl-5-N-[(1S,3R)-3-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323832
1-[(2-fluoro-5-methylphenyl)methyl]-5-formyl-N-methyl-2-oxopyridine-3-carboxamide
CID 126676091
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-benzyl-3-N-methyl-2-oxo-5-N-pyridazin-4-ylpyridine-3,5-dicarboxamide
CID 135341776
1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 159311932

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine?
The IUPAC name of 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine (CID 145267553) is 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine.
What is the SMILES notation for 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine?
The canonical SMILES for 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine is CNC(=O)c1cc(C=O)cn(Cc2ccccc2)c1=O.CNC1CC2(CC(N)C2)C1.
What is the InChIKey of 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine?
The InChIKey is WDPVNHUYDMZPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3.C8H16N2/c1-16-14(19)13-7-12(10-18)9-17(15(13)20)8-11-5-3-2-4-6-11;1-10-7-4-8(5-7)2-6(9)3-8/h2-7,9-10H,8H2,1H3,(H,16,19);6-7,10H,2-5,9H2,1H3.
What are the key properties of 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine?
1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine has a molecular weight of 410.52 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-formyl-N-methyl-2-oxopyridine-3-carboxamide;2-N-methylspiro[3.3]heptane-2,6-diamine is sourced from PubChem (CID 145267553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).