4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C18H18N4O2 — CID 109206901

IUPAC4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C18H18N4O2/c19-11-13-3-1-4-14(9-13)22-15-6-7-20-17(10-15)18(23)21-12-16-5-2-8-24-16/h1,3-4,6-7,9-10,16H,2,5,8,12H2,(H,20,22)(H,21,23)
InChIKeyWJLCTTYWSGDBSB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.61
Rot. Bonds5

About 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109206901) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109206901
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C18H18N4O2/c19-11-13-3-1-4-14(9-13)22-15-6-7-20-17(10-15)18(23)21-12-16-5-2-8-24-16/h1,3-4,6-7,9-10,16H,2,5,8,12H2,(H,20,22)(H,21,23)
InChIKeyWJLCTTYWSGDBSB-UHFFFAOYSA-N
XLogP2.61
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206875
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832
4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206845
N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide
CID 109206872
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209439
3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109206901) is 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is N#Cc1cccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is WJLCTTYWSGDBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-11-13-3-1-4-14(9-13)22-15-6-7-20-17(10-15)18(23)21-12-16-5-2-8-24-16/h1,3-4,6-7,9-10,16H,2,5,8,12H2,(H,20,22)(H,21,23).
What are the key properties of 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).