N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide

C12H17N3O3 — CID 156563347

IUPACN-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide
SMILESCOc1c(C)cc(NC=O)nc1OC1CCNC1
InChIInChI=1S/C12H17N3O3/c1-8-5-10(14-7-16)15-12(11(8)17-2)18-9-3-4-13-6-9/h5,7,9,13H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyIILDUBUMWVVIQC-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.71
Rot. Bonds5

About N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide

N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide (PubChem CID 156563347) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide.

Molecular Properties

Compound NameN-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide
PubChem CID156563347
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide
SMILESCOc1c(C)cc(NC=O)nc1OC1CCNC1
InChIInChI=1S/C12H17N3O3/c1-8-5-10(14-7-16)15-12(11(8)17-2)18-9-3-4-13-6-9/h5,7,9,13H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyIILDUBUMWVVIQC-UHFFFAOYSA-N
XLogP0.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide?
The IUPAC name of N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide (CID 156563347) is N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide.
What is the SMILES notation for N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide?
The canonical SMILES for N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide is COc1c(C)cc(NC=O)nc1OC1CCNC1.
What is the InChIKey of N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide?
The InChIKey is IILDUBUMWVVIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-5-10(14-7-16)15-12(11(8)17-2)18-9-3-4-13-6-9/h5,7,9,13H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide?
N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide has a molecular weight of 251.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-4-methyl-6-pyrrolidin-3-yloxy-2-pyridinyl)formamide is sourced from PubChem (CID 156563347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).