5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide

C12H17N3O2 — CID 81316128

IUPAC5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(N)cn1)C1CCCO1
InChIInChI=1S/C12H17N3O2/c1-8(11-3-2-6-17-11)15-12(16)10-5-4-9(13)7-14-10/h4-5,7-8,11H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyAZENYWFZRUJLRT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.96
Rot. Bonds3

About 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide

5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 81316128) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID81316128
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(N)cn1)C1CCCO1
InChIInChI=1S/C12H17N3O2/c1-8(11-3-2-6-17-11)15-12(16)10-5-4-9(13)7-14-10/h4-5,7-8,11H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyAZENYWFZRUJLRT-UHFFFAOYSA-N
XLogP0.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 104642643
3-[6-[1-(oxolan-2-yl)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76978832
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
N-[1-(oxolan-2-yl)ethyl]quinoxaline-2-carboxamide
CID 47167763
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 63660237
2-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62242671
3-amino-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523047

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide (CID 81316128) is 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccc(N)cn1)C1CCCO1.
What is the InChIKey of 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is AZENYWFZRUJLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(11-3-2-6-17-11)15-12(16)10-5-4-9(13)7-14-10/h4-5,7-8,11H,2-3,6,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide?
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 81316128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).