N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide

C18H18N4O2 — CID 113037203

IUPACN-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)c1
InChIInChI=1S/C18H18N4O2/c19-11-13-2-1-3-15(10-13)21-16-4-5-17(20-12-16)22-18(23)14-6-8-24-9-7-14/h1-5,10,12,14,21H,6-9H2,(H,20,22,23)
InChIKeyVIXYQSXMTKJAIO-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.06
Rot. Bonds4

About N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide

N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113037203) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
PubChem CID113037203
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)c1
InChIInChI=1S/C18H18N4O2/c19-11-13-2-1-3-15(10-13)21-16-4-5-17(20-12-16)22-18(23)14-6-8-24-9-7-14/h1-5,10,12,14,21H,6-9H2,(H,20,22,23)
InChIKeyVIXYQSXMTKJAIO-UHFFFAOYSA-N
XLogP3.06
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-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

1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113035088
N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
CID 112989923
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037150
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide (CID 113037203) is N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide is N#Cc1cccc(Nc2ccc(NC(=O)C3CCOCC3)nc2)c1.
What is the InChIKey of N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is VIXYQSXMTKJAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-11-13-2-1-3-15(10-13)21-16-4-5-17(20-12-16)22-18(23)14-6-8-24-9-7-14/h1-5,10,12,14,21H,6-9H2,(H,20,22,23).
What are the key properties of N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide?
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113037203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).