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

C14H15ClN2O2 — CID 81226370

IUPAC4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)Cc2ccoc2C)cn1
InChIInChI=1S/C14H15ClN2O2/c1-9-6-13(15)12(7-16-9)14(18)17(3)8-11-4-5-19-10(11)2/h4-7H,8H2,1-3H3
InChIKeyMJARJEYPKNKBBK-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.22
Rot. Bonds3

About 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide

4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 81226370) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
PubChem CID81226370
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)Cc2ccoc2C)cn1
InChIInChI=1S/C14H15ClN2O2/c1-9-6-13(15)12(7-16-9)14(18)17(3)8-11-4-5-19-10(11)2/h4-7H,8H2,1-3H3
InChIKeyMJARJEYPKNKBBK-UHFFFAOYSA-N
XLogP3.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 47379891
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
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
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
CID 55052208
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide (CID 81226370) is 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)N(C)Cc2ccoc2C)cn1.
What is the InChIKey of 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MJARJEYPKNKBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-6-13(15)12(7-16-9)14(18)17(3)8-11-4-5-19-10(11)2/h4-7H,8H2,1-3H3.
What are the key properties of 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide?
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81226370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).