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

C18H18N4O2 — CID 113022700

IUPACN-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C18H18N4O2/c19-11-14-3-1-2-4-16(14)22-17-6-5-15(12-20-17)21-18(23)13-7-9-24-10-8-13/h1-6,12-13H,7-10H2,(H,20,22)(H,21,23)
InChIKeyJVQBEWJSTPBAHI-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.06
Rot. Bonds4

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

N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113022700) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
PubChem CID113022700
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C18H18N4O2/c19-11-14-3-1-2-4-16(14)22-17-6-5-15(12-20-17)21-18(23)13-7-9-24-10-8-13/h1-6,12-13H,7-10H2,(H,20,22)(H,21,23)
InChIKeyJVQBEWJSTPBAHI-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

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Related Compounds

N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113021511
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113020060
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[6-(2-cyanoanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113022682
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide (CID 113022700) is N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide is N#Cc1ccccc1Nc1ccc(NC(=O)C2CCOCC2)cn1.
What is the InChIKey of N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is JVQBEWJSTPBAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-11-14-3-1-2-4-16(14)22-17-6-5-15(12-20-17)21-18(23)13-7-9-24-10-8-13/h1-6,12-13H,7-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide?
N-[6-(2-cyanoanilino)-3-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-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113022700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).