2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

C12H16ClN3O2 — CID 55042257

IUPAC2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCCO2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-6-8(5-10(13)16-11)12(17)15-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyNRRZZZADIWOPPP-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.69
Rot. Bonds4

About 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 55042257) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID55042257
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCCO2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-6-8(5-10(13)16-11)12(17)15-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyNRRZZZADIWOPPP-UHFFFAOYSA-N
XLogP1.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
2-chloro-6-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62249166
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
CID 62165625
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
2-chloro-6-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 62173680
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 55042257) is 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCC2CCCO2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is NRRZZZADIWOPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-11-6-8(5-10(13)16-11)12(17)15-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55042257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).