N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide

C17H25N3O3 — CID 167458557

IUPACN-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCC1CC(c2ccc(NC(=O)C3CC3)nc2CN)CCO1
InChIInChI=1S/C17H25N3O3/c1-22-10-13-8-12(6-7-23-13)14-4-5-16(19-15(14)9-18)20-17(21)11-2-3-11/h4-5,11-13H,2-3,6-10,18H2,1H3,(H,19,20,21)
InChIKeyPDAIVPLJHFUGFZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.80
Rot. Bonds6

About N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167458557) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID167458557
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCC1CC(c2ccc(NC(=O)C3CC3)nc2CN)CCO1
InChIInChI=1S/C17H25N3O3/c1-22-10-13-8-12(6-7-23-13)14-4-5-16(19-15(14)9-18)20-17(21)11-2-3-11/h4-5,11-13H,2-3,6-10,18H2,1H3,(H,19,20,21)
InChIKeyPDAIVPLJHFUGFZ-UHFFFAOYSA-N
XLogP1.80
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 167458557) is N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide is COCC1CC(c2ccc(NC(=O)C3CC3)nc2CN)CCO1.
What is the InChIKey of N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is PDAIVPLJHFUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-10-13-8-12(6-7-23-13)14-4-5-16(19-15(14)9-18)20-17(21)11-2-3-11/h4-5,11-13H,2-3,6-10,18H2,1H3,(H,19,20,21).
What are the key properties of N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-5-[2-(methoxymethyl)oxan-4-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 167458557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).