2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide

C17H26N2O2 — CID 75498806

IUPAC2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide
SMILESCCC(CC)C1CC(NC(=O)c2cccnc2C)CCO1
InChIInChI=1S/C17H26N2O2/c1-4-13(5-2)16-11-14(8-10-21-16)19-17(20)15-7-6-9-18-12(15)3/h6-7,9,13-14,16H,4-5,8,10-11H2,1-3H3,(H,19,20)
InChIKeyIMSRRTYEPYDZOM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.10
Rot. Bonds5

About 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide

2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide (PubChem CID 75498806) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide
PubChem CID75498806
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide
SMILESCCC(CC)C1CC(NC(=O)c2cccnc2C)CCO1
InChIInChI=1S/C17H26N2O2/c1-4-13(5-2)16-11-14(8-10-21-16)19-17(20)15-7-6-9-18-12(15)3/h6-7,9,13-14,16H,4-5,8,10-11H2,1-3H3,(H,19,20)
InChIKeyIMSRRTYEPYDZOM-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide (CID 75498806) is 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide is CCC(CC)C1CC(NC(=O)c2cccnc2C)CCO1.
What is the InChIKey of 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide?
The InChIKey is IMSRRTYEPYDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13(5-2)16-11-14(8-10-21-16)19-17(20)15-7-6-9-18-12(15)3/h6-7,9,13-14,16H,4-5,8,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide?
2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pentan-3-yloxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75498806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).