2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide

C12H17N3O2 — CID 62824934

IUPAC2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC1CCOC1
InChIInChI=1S/C12H17N3O2/c1-13-11-10(3-2-5-14-11)12(16)15-7-9-4-6-17-8-9/h2-3,5,9H,4,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZJAUAGCFRFPVDE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.89
Rot. Bonds4

About 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide

2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 62824934) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
PubChem CID62824934
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC1CCOC1
InChIInChI=1S/C12H17N3O2/c1-13-11-10(3-2-5-14-11)12(16)15-7-9-4-6-17-8-9/h2-3,5,9H,4,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZJAUAGCFRFPVDE-UHFFFAOYSA-N
XLogP0.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63706966
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62824766
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614955
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide (CID 62824934) is 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCC1CCOC1.
What is the InChIKey of 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZJAUAGCFRFPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-11-10(3-2-5-14-11)12(16)15-7-9-4-6-17-8-9/h2-3,5,9H,4,6-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62824934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).