6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide

C19H22ClN3O2 — CID 71093538

IUPAC6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)C(C)NC(=O)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H22ClN3O2/c1-12(19(2,3)18(25)21-4)22-17(24)16-10-6-9-15(23-16)13-7-5-8-14(20)11-13/h5-12H,1-4H3,(H,21,25)(H,22,24)
InChIKeyNKOABCOPFWJKSJ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.29
Rot. Bonds5

About 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide

6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 71093538) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID71093538
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)C(C)NC(=O)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H22ClN3O2/c1-12(19(2,3)18(25)21-4)22-17(24)16-10-6-9-15(23-16)13-7-5-8-14(20)11-13/h5-12H,1-4H3,(H,21,25)(H,22,24)
InChIKeyNKOABCOPFWJKSJ-UHFFFAOYSA-N
XLogP3.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide (CID 71093538) is 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide is CNC(=O)C(C)(C)C(C)NC(=O)c1cccc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide?
The InChIKey is NKOABCOPFWJKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12(19(2,3)18(25)21-4)22-17(24)16-10-6-9-15(23-16)13-7-5-8-14(20)11-13/h5-12H,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).