6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

C22H18N4O3 — CID 4996641

IUPAC6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=C(C=Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1
InChIInChI=1S/C22H18N4O3/c1-16-10-12-19(15-23-16)22(27)25-24-21(18-7-3-2-4-8-18)13-11-17-6-5-9-20(14-17)26(28)29/h2-15H,1H3,(H,25,27)
InChIKeyNSNWCAKGERORBT-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.15
Rot. Bonds6

About 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 4996641) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID4996641
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=C(C=Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1
InChIInChI=1S/C22H18N4O3/c1-16-10-12-19(15-23-16)22(27)25-24-21(18-7-3-2-4-8-18)13-11-17-6-5-9-20(14-17)26(28)29/h2-15H,1H3,(H,25,27)
InChIKeyNSNWCAKGERORBT-UHFFFAOYSA-N
XLogP4.15
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 8990926
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide
CID 6611756
(E)-3-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 122399973
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4616774
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
CID 1009768
4-bromo-N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
CID 92652533

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (CID 4996641) is 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is Cc1ccc(C(=O)NN=C(C=Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1.
What is the InChIKey of 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is NSNWCAKGERORBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-16-10-12-19(15-23-16)22(27)25-24-21(18-7-3-2-4-8-18)13-11-17-6-5-9-20(14-17)26(28)29/h2-15H,1H3,(H,25,27).
What are the key properties of 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 4996641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).