4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile

C20H22N6O4 — CID 7256175

IUPAC4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C#N
InChIInChI=1S/C20H22N6O4/c1-14-9-16(13-29-2)18(11-21)20(23-14)24-22-12-15-10-17(26(27)28)3-4-19(15)25-5-7-30-8-6-25/h3-4,9-10,12H,5-8,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyDNKOJNSXSYVXEO-WSDLNYQXSA-N
MW410.43 g/mol
LogP2.60
Rot. Bonds7

About 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile (PubChem CID 7256175) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
PubChem CID7256175
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C#N
InChIInChI=1S/C20H22N6O4/c1-14-9-16(13-29-2)18(11-21)20(23-14)24-22-12-15-10-17(26(27)28)3-4-19(15)25-5-7-30-8-6-25/h3-4,9-10,12H,5-8,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyDNKOJNSXSYVXEO-WSDLNYQXSA-N
XLogP2.60
TPSA125.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 126003224
2-[2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 5037520
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135628631
2-[2-[(5-bromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3116309
2-[(2Z)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135641089
1-ethyl-3-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]thiourea
CID 126377027
2-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3976826
2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6151006
2-[(2E)-2-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 126089667
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 5335822
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile
CID 126086963

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile (CID 7256175) is 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is COCc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The InChIKey is DNKOJNSXSYVXEO-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-14-9-16(13-29-2)18(11-21)20(23-14)24-22-12-15-10-17(26(27)28)3-4-19(15)25-5-7-30-8-6-25/h3-4,9-10,12H,5-8,13H2,1-2H3,(H,23,24)/b22-12+.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile has a molecular weight of 410.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 7256175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).