N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide

C16H14N4O — CID 135541810

IUPACN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O/c1-11(13-10-18-14-7-3-2-6-12(13)14)19-20-16(21)15-8-4-5-9-17-15/h2-10,18H,1H3,(H,20,21)/b19-11-
InChIKeyLWIGRCMNENVWAL-ODLFYWEKSA-N
MW278.31 g/mol
LogP2.72
Rot. Bonds3

About N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide

N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 135541810) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide
PubChem CID135541810
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O/c1-11(13-10-18-14-7-3-2-6-12(13)14)19-20-16(21)15-8-4-5-9-17-15/h2-10,18H,1H3,(H,20,21)/b19-11-
InChIKeyLWIGRCMNENVWAL-ODLFYWEKSA-N
XLogP2.72
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide (CID 135541810) is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide is C/C(=N/NC(=O)c1ccccn1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is LWIGRCMNENVWAL-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(13-10-18-14-7-3-2-6-12(13)14)19-20-16(21)15-8-4-5-9-17-15/h2-10,18H,1H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide?
N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135541810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).