N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide

C15H15N5O2 — CID 166476886

IUPACN-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide
SMILESNC(N)=NCc1ccc(NC(=O)c2ccc(C=O)cn2)cc1
InChIInChI=1S/C15H15N5O2/c16-15(17)19-7-10-1-4-12(5-2-10)20-14(22)13-6-3-11(9-21)8-18-13/h1-6,8-9H,7H2,(H,20,22)(H4,16,17,19)
InChIKeyIIXDORSRCNFIGR-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.92
Rot. Bonds5

About N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide

N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide (PubChem CID 166476886) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide
PubChem CID166476886
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide
SMILESNC(N)=NCc1ccc(NC(=O)c2ccc(C=O)cn2)cc1
InChIInChI=1S/C15H15N5O2/c16-15(17)19-7-10-1-4-12(5-2-10)20-14(22)13-6-3-11(9-21)8-18-13/h1-6,8-9H,7H2,(H,20,22)(H4,16,17,19)
InChIKeyIIXDORSRCNFIGR-UHFFFAOYSA-N
XLogP0.92
TPSA123.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide
CID 14211292
N-[4-[(diaminomethylideneamino)methyl]phenyl]-2-methylpropanamide
CID 110914570
N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473
3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide
CID 22601370
5-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104642279
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114750435
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 76938619
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
6-amino-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 55041891
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260

Frequently Asked Questions

What is the IUPAC name of N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide?
The IUPAC name of N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide (CID 166476886) is N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide is NC(N)=NCc1ccc(NC(=O)c2ccc(C=O)cn2)cc1.
What is the InChIKey of N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide?
The InChIKey is IIXDORSRCNFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-15(17)19-7-10-1-4-12(5-2-10)20-14(22)13-6-3-11(9-21)8-18-13/h1-6,8-9H,7H2,(H,20,22)(H4,16,17,19).
What are the key properties of N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide?
N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide is sourced from PubChem (CID 166476886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).