2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide

C25H23N7O4 — CID 176514703

IUPAC2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
SMILESNC(=O)Cc1ccc(C=NNC(=O)c2cccc(C(=O)NN=Cc3ccc(CC(N)=O)cc3)n2)cc1
InChIInChI=1S/C25H23N7O4/c26-22(33)12-16-4-8-18(9-5-16)14-28-31-24(35)20-2-1-3-21(30-20)25(36)32-29-15-19-10-6-17(7-11-19)13-23(27)34/h1-11,14-15H,12-13H2,(H2,26,33)(H2,27,34)(H,31,35)(H,32,36)
InChIKeyCPFGCMXFEHLCJE-UHFFFAOYSA-N
MW485.50 g/mol
LogP0.67
Rot. Bonds10

About 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide

2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide (PubChem CID 176514703) has the molecular formula C25H23N7O4 and a molecular weight of 485.50 g/mol. Its IUPAC name is 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
PubChem CID176514703
Molecular FormulaC25H23N7O4
Molecular Weight485.50 g/mol
Exact Mass485.18
IUPAC Name2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
SMILESNC(=O)Cc1ccc(C=NNC(=O)c2cccc(C(=O)NN=Cc3ccc(CC(N)=O)cc3)n2)cc1
InChIInChI=1S/C25H23N7O4/c26-22(33)12-16-4-8-18(9-5-16)14-28-31-24(35)20-2-1-3-21(30-20)25(36)32-29-15-19-10-6-17(7-11-19)13-23(27)34/h1-11,14-15H,12-13H2,(H2,26,33)(H2,27,34)(H,31,35)(H,32,36)
InChIKeyCPFGCMXFEHLCJE-UHFFFAOYSA-N
XLogP0.67
TPSA181.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]pyridine-2,6-dicarboxamide
CID 11802550
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
2-N,6-N-bis[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-methyl-1-oxobutan-2-yl]pyridine-2,6-dicarboxamide
CID 15489577
N-[(E)-pyridin-4-ylmethylideneamino]quinoline-2-carboxamide
CID 6906634
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 7933033
[(E)-benzylideneamino]urea
CID 6861419
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide (CID 176514703) is 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide is NC(=O)Cc1ccc(C=NNC(=O)c2cccc(C(=O)NN=Cc3ccc(CC(N)=O)cc3)n2)cc1.
What is the InChIKey of 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide?
The InChIKey is CPFGCMXFEHLCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4/c26-22(33)12-16-4-8-18(9-5-16)14-28-31-24(35)20-2-1-3-21(30-20)25(36)32-29-15-19-10-6-17(7-11-19)13-23(27)34/h1-11,14-15H,12-13H2,(H2,26,33)(H2,27,34)(H,31,35)(H,32,36).
What are the key properties of 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide has a molecular weight of 485.50 g/mol, XLogP of 0.67, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 176514703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).