6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide

C14H21N3O2 — CID 90653966

IUPAC6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cccc(N)n1
InChIInChI=1S/C14H21N3O2/c1-17(9-3-5-11-6-4-10-19-11)14(18)12-7-2-8-13(15)16-12/h2,7-8,11H,3-6,9-10H2,1H3,(H2,15,16)
InChIKeyTXCOZGIDUGXBCU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds5

About 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide

6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide (PubChem CID 90653966) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
PubChem CID90653966
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cccc(N)n1
InChIInChI=1S/C14H21N3O2/c1-17(9-3-5-11-6-4-10-19-11)14(18)12-7-2-8-13(15)16-12/h2,7-8,11H,3-6,9-10H2,1H3,(H2,15,16)
InChIKeyTXCOZGIDUGXBCU-UHFFFAOYSA-N
XLogP1.70
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide (CID 90653966) is 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide is CN(CCCC1CCCO1)C(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
The InChIKey is TXCOZGIDUGXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(9-3-5-11-6-4-10-19-11)14(18)12-7-2-8-13(15)16-12/h2,7-8,11H,3-6,9-10H2,1H3,(H2,15,16).
What are the key properties of 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 90653966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).