N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide

C16H11N3O4 — CID 67710095

IUPACN-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
SMILESCOc1ccc2c(=O)c(=NNC(=O)c3ccncc3)c(=O)c2c1
InChIInChI=1S/C16H11N3O4/c1-23-10-2-3-11-12(8-10)15(21)13(14(11)20)18-19-16(22)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22)
InChIKeyMXNWNLLWIFDXND-UHFFFAOYSA-N
MW309.28 g/mol
LogP0.09
Rot. Bonds3

About N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide

N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide (PubChem CID 67710095) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
PubChem CID67710095
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC NameN-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
SMILESCOc1ccc2c(=O)c(=NNC(=O)c3ccncc3)c(=O)c2c1
InChIInChI=1S/C16H11N3O4/c1-23-10-2-3-11-12(8-10)15(21)13(14(11)20)18-19-16(22)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22)
InChIKeyMXNWNLLWIFDXND-UHFFFAOYSA-N
XLogP0.09
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 7275569
1-[(1,3-dioxoinden-2-ylidene)amino]-3-(3-methoxyphenyl)urea;hydrate
CID 23373197
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea
CID 67801204
1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
CID 23373161
N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide
CID 19034298
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
[4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 6025019
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide (CID 67710095) is N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide is COc1ccc2c(=O)c(=NNC(=O)c3ccncc3)c(=O)c2c1.
What is the InChIKey of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is MXNWNLLWIFDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c1-23-10-2-3-11-12(8-10)15(21)13(14(11)20)18-19-16(22)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22).
What are the key properties of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 67710095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).