N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide

C23H17N5O4 — CID 2311239

IUPACN-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide
SMILESCc1c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2c1C(=O)c1ccncc1
InChIInChI=1S/C23H17N5O4/c1-15-19(14-25-26-23(30)17-5-7-18(8-6-17)28(31)32)20-4-2-3-13-27(20)21(15)22(29)16-9-11-24-12-10-16/h2-14H,1H3,(H,26,30)
InChIKeyUYRCSRLAKUXNKO-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.55
Rot. Bonds6

About N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide

N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide (PubChem CID 2311239) has the molecular formula C23H17N5O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide
PubChem CID2311239
Molecular FormulaC23H17N5O4
Molecular Weight427.42 g/mol
Exact Mass427.13
IUPAC NameN-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide
SMILESCc1c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2c1C(=O)c1ccncc1
InChIInChI=1S/C23H17N5O4/c1-15-19(14-25-26-23(30)17-5-7-18(8-6-17)28(31)32)20-4-2-3-13-27(20)21(15)22(29)16-9-11-24-12-10-16/h2-14H,1H3,(H,26,30)
InChIKeyUYRCSRLAKUXNKO-UHFFFAOYSA-N
XLogP3.55
TPSA118.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
CID 2312208
N-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]pyridine-3-carboxamide
CID 6905891
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
CID 2387590
1-ethyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]thiourea
CID 6904833
(4-fluorophenyl)-[2-methyl-1-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]indolizin-3-yl]methanone
CID 4638945
3-(diethylsulfamoyl)-N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]benzamide
CID 2458333
[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
CID 10030781
N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3269286
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-nitrobenzamide
CID 9014963
1-cyclohexyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]thiourea
CID 6903729
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
(4-fluorophenyl)-[2-methyl-1-[(E)-1,2,4-triazol-4-yliminomethyl]indolizin-3-yl]methanone
CID 6903027

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide (CID 2311239) is N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide is Cc1c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2c1C(=O)c1ccncc1.
What is the InChIKey of N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide?
The InChIKey is UYRCSRLAKUXNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O4/c1-15-19(14-25-26-23(30)17-5-7-18(8-6-17)28(31)32)20-4-2-3-13-27(20)21(15)22(29)16-9-11-24-12-10-16/h2-14H,1H3,(H,26,30).
What are the key properties of N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide?
N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide has a molecular weight of 427.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 2311239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).