ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide

C16H25N3O2 — CID 177348899

IUPACethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC.CNC(=O)c1cccc(C(=O)N2CC(C(C)C)C2)n1
InChIInChI=1S/C14H19N3O2.C2H6/c1-9(2)10-7-17(8-10)14(19)12-6-4-5-11(16-12)13(18)15-3;1-2/h4-6,9-10H,7-8H2,1-3H3,(H,15,18);1-2H3
InChIKeySDNWCXIFSJJKNT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.20
Rot. Bonds3

About ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide

ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 177348899) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID177348899
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC.CNC(=O)c1cccc(C(=O)N2CC(C(C)C)C2)n1
InChIInChI=1S/C14H19N3O2.C2H6/c1-9(2)10-7-17(8-10)14(19)12-6-4-5-11(16-12)13(18)15-3;1-2/h4-6,9-10H,7-8H2,1-3H3,(H,15,18);1-2H3
InChIKeySDNWCXIFSJJKNT-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide (CID 177348899) is ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide is CC.CNC(=O)c1cccc(C(=O)N2CC(C(C)C)C2)n1.
What is the InChIKey of ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is SDNWCXIFSJJKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.C2H6/c1-9(2)10-7-17(8-10)14(19)12-6-4-5-11(16-12)13(18)15-3;1-2/h4-6,9-10H,7-8H2,1-3H3,(H,15,18);1-2H3.
What are the key properties of ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide?
ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-6-(3-propan-2-ylazetidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 177348899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).