N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide

C14H12N4O4 — CID 3328921

IUPACN-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H12N4O4/c1-9-5-12(18(21)22)6-11(13(9)19)8-16-17-14(20)10-3-2-4-15-7-10/h2-8,19H,1H3,(H,17,20)
InChIKeyQMDNKVVYYGQYTO-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.77
Rot. Bonds4

About N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide

N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 3328921) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID3328921
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC NameN-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H12N4O4/c1-9-5-12(18(21)22)6-11(13(9)19)8-16-17-14(20)10-3-2-4-15-7-10/h2-8,19H,1H3,(H,17,20)
InChIKeyQMDNKVVYYGQYTO-UHFFFAOYSA-N
XLogP1.77
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639
N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 830822
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3503714
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3274158
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3616787
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3383758
2-chloro-N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 135554740
N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
CID 46501939
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 3328921) is N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is Cc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccnc2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is QMDNKVVYYGQYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c1-9-5-12(18(21)22)6-11(13(9)19)8-16-17-14(20)10-3-2-4-15-7-10/h2-8,19H,1H3,(H,17,20).
What are the key properties of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 300.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3328921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).