N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine

C17H14N4O3 — CID 21229319

IUPACN-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESCc1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14N4O3/c1-12-2-4-15(16(10-12)21(22)23)17-5-3-14(24-17)11-19-20-13-6-8-18-9-7-13/h2-11H,1H3,(H,18,20)/b19-11+
InChIKeyDDMQHDNTIHLOOC-YBFXNURJSA-N
MW322.32 g/mol
LogP4.00
Rot. Bonds5

About N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine

N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (PubChem CID 21229319) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
PubChem CID21229319
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESCc1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14N4O3/c1-12-2-4-15(16(10-12)21(22)23)17-5-3-14(24-17)11-19-20-13-6-8-18-9-7-13/h2-11H,1H3,(H,18,20)/b19-11+
InChIKeyDDMQHDNTIHLOOC-YBFXNURJSA-N
XLogP4.00
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
CID 50884135
N-[(E)-[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208953
4-acetamido-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3883202
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208899
N-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
CID 71677334
4-bromo-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 3331833
2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 124662764
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
2-(2-methyl-1,3-dithiolan-2-yl)-N-[(Z)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126256300
2-(cyclohexylamino)-N-[(Z)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126381205
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The IUPAC name of N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (CID 21229319) is N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is Cc1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The InChIKey is DDMQHDNTIHLOOC-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-12-2-4-15(16(10-12)21(22)23)17-5-3-14(24-17)11-19-20-13-6-8-18-9-7-13/h2-11H,1H3,(H,18,20)/b19-11+.
What are the key properties of N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine has a molecular weight of 322.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is sourced from PubChem (CID 21229319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).