N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide

C14H13N3O3 — CID 60654683

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13N3O3/c15-6-2-7-17(10-12-3-1-8-20-12)14(19)11-4-5-13(18)16-9-11/h1,3-5,8-9H,2,7,10H2,(H,16,18)
InChIKeyQLRINNQBBYGPGO-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.52
Rot. Bonds5

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 60654683) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID60654683
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13N3O3/c15-6-2-7-17(10-12-3-1-8-20-12)14(19)11-4-5-13(18)16-9-11/h1,3-5,8-9H,2,7,10H2,(H,16,18)
InChIKeyQLRINNQBBYGPGO-UHFFFAOYSA-N
XLogP1.52
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide
CID 47090922
2,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 114371715
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 60654683) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is N#CCCN(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QLRINNQBBYGPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-6-2-7-17(10-12-3-1-8-20-12)14(19)11-4-5-13(18)16-9-11/h1,3-5,8-9H,2,7,10H2,(H,16,18).
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60654683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).