5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

C14H13N3O2 — CID 55230950

IUPAC5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C#N)cn2)o1
InChIInChI=1S/C14H13N3O2/c1-10-3-5-12(19-10)9-17(2)14(18)13-6-4-11(7-15)8-16-13/h3-6,8H,9H2,1-2H3
InChIKeyBSUYIYBVYPMXFS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.13
Rot. Bonds3

About 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 55230950) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
PubChem CID55230950
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C#N)cn2)o1
InChIInChI=1S/C14H13N3O2/c1-10-3-5-12(19-10)9-17(2)14(18)13-6-4-11(7-15)8-16-13/h3-6,8H,9H2,1-2H3
InChIKeyBSUYIYBVYPMXFS-UHFFFAOYSA-N
XLogP2.13
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55152124
5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63723030
5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63718577
5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 64511384
ethyl 2-[(5-cyanopyridine-2-carbonyl)-methylamino]acetate
CID 55231343
5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63718606
5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63770699
ethyl 3-[(5-cyanopyridine-2-carbonyl)-methylamino]propanoate
CID 63717533
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
CID 86783276
5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 103722252
2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115116232

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (CID 55230950) is 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is Cc1ccc(CN(C)C(=O)c2ccc(C#N)cn2)o1.
What is the InChIKey of 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is BSUYIYBVYPMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-3-5-12(19-10)9-17(2)14(18)13-6-4-11(7-15)8-16-13/h3-6,8H,9H2,1-2H3.
What are the key properties of 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55230950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).