N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide

C16H14N4O2 — CID 135399898

IUPACN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3ccccn3)c2c1
InChIInChI=1S/C16H14N4O2/c1-22-12-5-6-14-13(8-12)11(9-18-14)10-19-20-16(21)15-4-2-3-7-17-15/h2-10,18H,1H3,(H,20,21)/b19-10+
InChIKeyCKUNNUWNZPNRQC-VXLYETTFSA-N
MW294.31 g/mol
LogP2.34
Rot. Bonds4

About N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 135399898) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID135399898
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3ccccn3)c2c1
InChIInChI=1S/C16H14N4O2/c1-22-12-5-6-14-13(8-12)11(9-18-14)10-19-20-16(21)15-4-2-3-7-17-15/h2-10,18H,1H3,(H,20,21)/b19-10+
InChIKeyCKUNNUWNZPNRQC-VXLYETTFSA-N
XLogP2.34
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide (CID 135399898) is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide is COc1ccc2[nH]cc(/C=N/NC(=O)c3ccccn3)c2c1.
What is the InChIKey of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is CKUNNUWNZPNRQC-VXLYETTFSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-12-5-6-14-13(8-12)11(9-18-14)10-19-20-16(21)15-4-2-3-7-17-15/h2-10,18H,1H3,(H,20,21)/b19-10+.
What are the key properties of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135399898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).