2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide

C15H15N3O2 — CID 115116232

IUPAC2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(CC#N)c2)o1
InChIInChI=1S/C15H15N3O2/c1-11-3-4-14(20-11)10-18(2)15(19)12-6-8-17-13(9-12)5-7-16/h3-4,6,8-9H,5,10H2,1-2H3
InChIKeyDCBRNDLDNRGVTD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.32
Rot. Bonds4

About 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide

2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 115116232) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
PubChem CID115116232
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(CC#N)c2)o1
InChIInChI=1S/C15H15N3O2/c1-11-3-4-14(20-11)10-18(2)15(19)12-6-8-17-13(9-12)5-7-16/h3-4,6,8-9H,5,10H2,1-2H3
InChIKeyDCBRNDLDNRGVTD-UHFFFAOYSA-N
XLogP2.32
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide (CID 115116232) is 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2ccnc(CC#N)c2)o1.
What is the InChIKey of 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is DCBRNDLDNRGVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-3-4-14(20-11)10-18(2)15(19)12-6-8-17-13(9-12)5-7-16/h3-4,6,8-9H,5,10H2,1-2H3.
What are the key properties of 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115116232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).