N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide

C17H16N4O2 — CID 113022851

IUPACN-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)C3CCCO3)cn2)cc1
InChIInChI=1S/C17H16N4O2/c18-10-12-3-5-13(6-4-12)20-16-8-7-14(11-19-16)21-17(22)15-2-1-9-23-15/h3-8,11,15H,1-2,9H2,(H,19,20)(H,21,22)
InChIKeyJZTSOENFZGNCSG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.81
Rot. Bonds4

About N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide

N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 113022851) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
PubChem CID113022851
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)C3CCCO3)cn2)cc1
InChIInChI=1S/C17H16N4O2/c18-10-12-3-5-13(6-4-12)20-16-8-7-14(11-19-16)21-17(22)15-2-1-9-23-15/h3-8,11,15H,1-2,9H2,(H,19,20)(H,21,22)
InChIKeyJZTSOENFZGNCSG-UHFFFAOYSA-N
XLogP2.81
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113021203
N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113023110
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
CID 112989824
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide (CID 113022851) is N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide is N#Cc1ccc(Nc2ccc(NC(=O)C3CCCO3)cn2)cc1.
What is the InChIKey of N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is JZTSOENFZGNCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-10-12-3-5-13(6-4-12)20-16-8-7-14(11-19-16)21-17(22)15-2-1-9-23-15/h3-8,11,15H,1-2,9H2,(H,19,20)(H,21,22).
What are the key properties of N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide?
N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113022851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).