5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide

C12H13N3O2 — CID 81316387

IUPAC5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(N)cn1)c1ccco1
InChIInChI=1S/C12H13N3O2/c1-8(11-3-2-6-17-11)15-12(16)10-5-4-9(13)7-14-10/h2-8H,13H2,1H3,(H,15,16)
InChIKeyNHMVDPGLLOYCDL-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.75
Rot. Bonds3

About 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide

5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 81316387) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID81316387
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(N)cn1)c1ccco1
InChIInChI=1S/C12H13N3O2/c1-8(11-3-2-6-17-11)15-12(16)10-5-4-9(13)7-14-10/h2-8H,13H2,1H3,(H,15,16)
InChIKeyNHMVDPGLLOYCDL-UHFFFAOYSA-N
XLogP1.75
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
5-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107238943
N-[1-(furan-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378104
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
5-amino-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 81315869
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide (CID 81316387) is 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccc(N)cn1)c1ccco1.
What is the InChIKey of 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is NHMVDPGLLOYCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(11-3-2-6-17-11)15-12(16)10-5-4-9(13)7-14-10/h2-8H,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 81316387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).