2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide

C12H12ClN3O2 — CID 113234494

IUPAC2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccoc2)cc(Cl)n1
InChIInChI=1S/C12H12ClN3O2/c1-14-11-5-9(4-10(13)16-11)12(17)15-6-8-2-3-18-7-8/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyKADZDXSETBXSOA-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.30
Rot. Bonds4

About 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 113234494) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID113234494
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccoc2)cc(Cl)n1
InChIInChI=1S/C12H12ClN3O2/c1-14-11-5-9(4-10(13)16-11)12(17)15-6-8-2-3-18-7-8/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyKADZDXSETBXSOA-UHFFFAOYSA-N
XLogP2.30
TPSA67.16 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 ≤ 52.30
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

2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79036395
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide
CID 115888738
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62167624
N-(furan-3-ylmethyl)-4-hydroxybenzamide
CID 115870248
5-chloro-N-(furan-3-ylmethyl)-2-hydroxybenzamide
CID 47204985
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111447865
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide (CID 113234494) is 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2ccoc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is KADZDXSETBXSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-14-11-5-9(4-10(13)16-11)12(17)15-6-8-2-3-18-7-8/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 113234494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).