2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

C12H18N2O2 — CID 154375550

IUPAC2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCc1ncccc1C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(2)16-8-4-6-11-10(12(13)15)5-3-7-14-11/h3,5,7,9H,4,6,8H2,1-2H3,(H2,13,15)
InChIKeyVTJPZCJCTSVVPN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.54
Rot. Bonds6

About 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (PubChem CID 154375550) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
PubChem CID154375550
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCc1ncccc1C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(2)16-8-4-6-11-10(12(13)15)5-3-7-14-11/h3,5,7,9H,4,6,8H2,1-2H3,(H2,13,15)
InChIKeyVTJPZCJCTSVVPN-UHFFFAOYSA-N
XLogP1.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (CID 154375550) is 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is CC(C)OCCCc1ncccc1C(N)=O.
What is the InChIKey of 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The InChIKey is VTJPZCJCTSVVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)16-8-4-6-11-10(12(13)15)5-3-7-14-11/h3,5,7,9H,4,6,8H2,1-2H3,(H2,13,15).
What are the key properties of 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 154375550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).