N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide

C13H15N3O2 — CID 62168505

IUPACN-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)c2ccco2)ccn1
InChIInChI=1S/C13H15N3O2/c1-9(11-4-3-7-18-11)16-13(17)10-5-6-15-12(8-10)14-2/h3-9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXXWPCIWBPLFLGB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide

N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 62168505) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID62168505
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)c2ccco2)ccn1
InChIInChI=1S/C13H15N3O2/c1-9(11-4-3-7-18-11)16-13(17)10-5-6-15-12(8-10)14-2/h3-9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXXWPCIWBPLFLGB-UHFFFAOYSA-N
XLogP2.21
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62175393
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 63011141
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
CID 18110352
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 64643269
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide (CID 62168505) is N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC(C)c2ccco2)ccn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is XXWPCIWBPLFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(11-4-3-7-18-11)16-13(17)10-5-6-15-12(8-10)14-2/h3-9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62168505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).