N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide

C19H27N3O2 — CID 170725785

IUPACN-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C2CCOCC2)c(CN2CCCC2)n1)C1CC1
InChIInChI=1S/C19H27N3O2/c23-19(15-3-4-15)21-18-6-5-16(14-7-11-24-12-8-14)17(20-18)13-22-9-1-2-10-22/h5-6,14-15H,1-4,7-13H2,(H,20,21,23)
InChIKeyALGKAJVGKQYTSQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.92
Rot. Bonds5

About N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170725785) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170725785
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C2CCOCC2)c(CN2CCCC2)n1)C1CC1
InChIInChI=1S/C19H27N3O2/c23-19(15-3-4-15)21-18-6-5-16(14-7-11-24-12-8-14)17(20-18)13-22-9-1-2-10-22/h5-6,14-15H,1-4,7-13H2,(H,20,21,23)
InChIKeyALGKAJVGKQYTSQ-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide (CID 170725785) is N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(C2CCOCC2)c(CN2CCCC2)n1)C1CC1.
What is the InChIKey of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ALGKAJVGKQYTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19(15-3-4-15)21-18-6-5-16(14-7-11-24-12-8-14)17(20-18)13-22-9-1-2-10-22/h5-6,14-15H,1-4,7-13H2,(H,20,21,23).
What are the key properties of N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-4-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170725785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).