N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide

C18H17N3O2 — CID 9015206

IUPACN-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESCCc1c(/C(C)=N\NC(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C18H17N3O2/c1-3-14-15-6-4-5-7-16(15)23-17(14)12(2)20-21-18(22)13-8-10-19-11-9-13/h4-11H,3H2,1-2H3,(H,21,22)/b20-12-
InChIKeyAKAHPRHUSRYUDM-NDENLUEZSA-N
MW307.35 g/mol
LogP3.54
Rot. Bonds4

About N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 9015206) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide
PubChem CID9015206
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESCCc1c(/C(C)=N\NC(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C18H17N3O2/c1-3-14-15-6-4-5-7-16(15)23-17(14)12(2)20-21-18(22)13-8-10-19-11-9-13/h4-11H,3H2,1-2H3,(H,21,22)/b20-12-
InChIKeyAKAHPRHUSRYUDM-NDENLUEZSA-N
XLogP3.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
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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Related Compounds

[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
CID 9075990
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
CID 8825879
2-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]benzoate
CID 7434547
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
CID 26974464
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
CID 6302652
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide (CID 9015206) is N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide is CCc1c(/C(C)=N\NC(=O)c2ccncc2)oc2ccccc12.
What is the InChIKey of N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is AKAHPRHUSRYUDM-NDENLUEZSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-14-15-6-4-5-7-16(15)23-17(14)12(2)20-21-18(22)13-8-10-19-11-9-13/h4-11H,3H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 9015206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).