5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide

C13H14ClN3O2 — CID 55047426

IUPAC5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCc2ccco2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-15-12-11(14)7-9(8-17-12)13(18)16-5-4-10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,15,17)(H,16,18)
InChIKeyVFFBSOIJJLROAB-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.34
Rot. Bonds5

About 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 55047426) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID55047426
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCc2ccco2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-15-12-11(14)7-9(8-17-12)13(18)16-5-4-10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,15,17)(H,16,18)
InChIKeyVFFBSOIJJLROAB-UHFFFAOYSA-N
XLogP2.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62312710
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270752
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide (CID 55047426) is 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NCCc2ccco2)cc1Cl.
What is the InChIKey of 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is VFFBSOIJJLROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-15-12-11(14)7-9(8-17-12)13(18)16-5-4-10-3-2-6-19-10/h2-3,6-8H,4-5H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55047426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).