5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide

C13H20ClN3O2 — CID 114923860

IUPAC5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(COC)C(C)C)c(Cl)cn1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)11(7-19-4)17-13(18)9-5-12(15-3)16-6-10(9)14/h5-6,8,11H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNFPLUZYSBMKTQP-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.18
Rot. Bonds6

About 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114923860) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114923860
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(COC)C(C)C)c(Cl)cn1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)11(7-19-4)17-13(18)9-5-12(15-3)16-6-10(9)14/h5-6,8,11H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNFPLUZYSBMKTQP-UHFFFAOYSA-N
XLogP2.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923758
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 65053033
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-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
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide (CID 114923860) is 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC(COC)C(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is NFPLUZYSBMKTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)11(7-19-4)17-13(18)9-5-12(15-3)16-6-10(9)14/h5-6,8,11H,7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).