N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide

C14H21N3O2 — CID 129000728

IUPACN-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
SMILESCC1OCCCC1C(=O)Nc1ccc(N(C)C)cn1
InChIInChI=1S/C14H21N3O2/c1-10-12(5-4-8-19-10)14(18)16-13-7-6-11(9-15-13)17(2)3/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyKZHCACJUWOUWBE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds3

About N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide

N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide (PubChem CID 129000728) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
PubChem CID129000728
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
SMILESCC1OCCCC1C(=O)Nc1ccc(N(C)C)cn1
InChIInChI=1S/C14H21N3O2/c1-10-12(5-4-8-19-10)14(18)16-13-7-6-11(9-15-13)17(2)3/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyKZHCACJUWOUWBE-UHFFFAOYSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
The IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide (CID 129000728) is N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
The canonical SMILES for N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide is CC1OCCCC1C(=O)Nc1ccc(N(C)C)cn1.
What is the InChIKey of N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
The InChIKey is KZHCACJUWOUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-12(5-4-8-19-10)14(18)16-13-7-6-11(9-15-13)17(2)3/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,15,16,18).
What are the key properties of N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide is sourced from PubChem (CID 129000728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).