2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

C13H18ClN3O2 — CID 82743811

IUPAC2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C2CCOC2C)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-8-10(4-5-19-8)17(3)13(18)9-6-11(14)16-12(7-9)15-2/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyBVDBTBMEMFZQCQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.03
Rot. Bonds3

About 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (PubChem CID 82743811) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
PubChem CID82743811
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C2CCOC2C)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-8-10(4-5-19-8)17(3)13(18)9-6-11(14)16-12(7-9)15-2/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyBVDBTBMEMFZQCQ-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-6-(methylamino)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179291
5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82734080
2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 62542296
3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114025919
2-chloro-N-cyclopropyl-6-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243916
5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82739696
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 62177130
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743180
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114953146
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 62174892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (CID 82743811) is 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)C2CCOC2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The InChIKey is BVDBTBMEMFZQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8-10(4-5-19-8)17(3)13(18)9-6-11(14)16-12(7-9)15-2/h6-8,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 82743811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).