6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide

C13H13ClN2O2 — CID 55052208

IUPAC6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-10(6-7-18-9)8-16(2)13(17)11-4-3-5-12(14)15-11/h3-7H,8H2,1-2H3
InChIKeyRQRCGTIAQJFTTK-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.91
Rot. Bonds3

About 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide

6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 55052208) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
PubChem CID55052208
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-10(6-7-18-9)8-16(2)13(17)11-4-3-5-12(14)15-11/h3-7H,8H2,1-2H3
InChIKeyRQRCGTIAQJFTTK-UHFFFAOYSA-N
XLogP2.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049964
2-hydroxy-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380836
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 47379891
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 66288132
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
2-(dimethylamino)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 56819277
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide (CID 55052208) is 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide is Cc1occc1CN(C)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is RQRCGTIAQJFTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-10(6-7-18-9)8-16(2)13(17)11-4-3-5-12(14)15-11/h3-7H,8H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide?
6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55052208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).