2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide

C12H12ClN3O2 — CID 62161577

IUPAC2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccco2)cc(Cl)n1
InChIInChI=1S/C12H12ClN3O2/c13-10-6-8(7-11(14)16-10)12(17)15-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H2,14,16)(H,15,17)
InChIKeyIXINVSVDFMZPSB-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 62161577) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID62161577
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccco2)cc(Cl)n1
InChIInChI=1S/C12H12ClN3O2/c13-10-6-8(7-11(14)16-10)12(17)15-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H2,14,16)(H,15,17)
InChIKeyIXINVSVDFMZPSB-UHFFFAOYSA-N
XLogP1.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115631265
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide (CID 62161577) is 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCCc2ccco2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is IXINVSVDFMZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-10-6-8(7-11(14)16-10)12(17)15-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 62161577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).