N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide

C17H22FN3O — CID 72885762

IUPACN-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CN(c2ncccc2F)C[C@@H]1C1CC1)C1CCC1
InChIInChI=1S/C17H22FN3O/c18-14-5-2-8-19-16(14)21-9-13(11-6-7-11)15(10-21)20-17(22)12-3-1-4-12/h2,5,8,11-13,15H,1,3-4,6-7,9-10H2,(H,20,22)/t13-,15+/m1/s1
InChIKeyXREVRIFKZQPKSC-HIFRSBDPSA-N
MW303.38 g/mol
LogP2.35
Rot. Bonds4

About N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide

N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 72885762) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID72885762
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CN(c2ncccc2F)C[C@@H]1C1CC1)C1CCC1
InChIInChI=1S/C17H22FN3O/c18-14-5-2-8-19-16(14)21-9-13(11-6-7-11)15(10-21)20-17(22)12-3-1-4-12/h2,5,8,11-13,15H,1,3-4,6-7,9-10H2,(H,20,22)/t13-,15+/m1/s1
InChIKeyXREVRIFKZQPKSC-HIFRSBDPSA-N
XLogP2.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide (CID 72885762) is N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide is O=C(N[C@H]1CN(c2ncccc2F)C[C@@H]1C1CC1)C1CCC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is XREVRIFKZQPKSC-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-14-5-2-8-19-16(14)21-9-13(11-6-7-11)15(10-21)20-17(22)12-3-1-4-12/h2,5,8,11-13,15H,1,3-4,6-7,9-10H2,(H,20,22)/t13-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 72885762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).