N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide

C20H29N3O3 — CID 156605379

IUPACN-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NC1CN(C2CCOCC2)CC1C1CC1
InChIInChI=1S/C20H29N3O3/c24-19(6-10-22-9-2-1-3-20(22)25)21-18-14-23(13-17(18)15-4-5-15)16-7-11-26-12-8-16/h1-3,9,15-18H,4-8,10-14H2,(H,21,24)
InChIKeyKYAOWEQDEGFTDT-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.24
Rot. Bonds6

About N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide

N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 156605379) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID156605379
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NC1CN(C2CCOCC2)CC1C1CC1
InChIInChI=1S/C20H29N3O3/c24-19(6-10-22-9-2-1-3-20(22)25)21-18-14-23(13-17(18)15-4-5-15)16-7-11-26-12-8-16/h1-3,9,15-18H,4-8,10-14H2,(H,21,24)
InChIKeyKYAOWEQDEGFTDT-UHFFFAOYSA-N
XLogP1.24
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide (CID 156605379) is N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)NC1CN(C2CCOCC2)CC1C1CC1.
What is the InChIKey of N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is KYAOWEQDEGFTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(6-10-22-9-2-1-3-20(22)25)21-18-14-23(13-17(18)15-4-5-15)16-7-11-26-12-8-16/h1-3,9,15-18H,4-8,10-14H2,(H,21,24).
What are the key properties of N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 156605379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).