5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide

C12H15Cl2N3O2 — CID 49167384

IUPAC5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-7(2)4-15-10(18)6-17-12(19)8-3-9(13)11(14)16-5-8/h3,5,7H,4,6H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyFCSKXSBSEGHCDV-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.89
Rot. Bonds5

About 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 49167384) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID49167384
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-7(2)4-15-10(18)6-17-12(19)8-3-9(13)11(14)16-5-8/h3,5,7H,4,6H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyFCSKXSBSEGHCDV-UHFFFAOYSA-N
XLogP1.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746097
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184
5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021673
3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112687782
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
CID 55026773

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide (CID 49167384) is 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide is CC(C)CNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is FCSKXSBSEGHCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-7(2)4-15-10(18)6-17-12(19)8-3-9(13)11(14)16-5-8/h3,5,7H,4,6H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 304.18 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 49167384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).