5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide

C13H20ClN3O2 — CID 114923758

IUPAC5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCCC(COC)NC(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-4-5-9(8-19-3)17-13(18)10-6-12(15-2)16-7-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRJXSJQBMUWOECC-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.32
Rot. Bonds7

About 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114923758) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114923758
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCCC(COC)NC(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-4-5-9(8-19-3)17-13(18)10-6-12(15-2)16-7-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRJXSJQBMUWOECC-UHFFFAOYSA-N
XLogP2.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
CID 114923757
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923860
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
5-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 114922690
5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105386525
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924522
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide (CID 114923758) is 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide is CCCC(COC)NC(=O)c1cc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is RJXSJQBMUWOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-5-9(8-19-3)17-13(18)10-6-12(15-2)16-7-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).