N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide

C21H24F2N4O3 — CID 163237721

IUPACN-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CC(c2ccc(=O)[nH]c2)C(F)(F)C1
InChIInChI=1S/C21H24F2N4O3/c1-13(20(29)26-18-6-5-16(9-24-18)30-11-14-2-3-14)27-10-17(21(22,23)12-27)15-4-7-19(28)25-8-15/h4-9,13-14,17H,2-3,10-12H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyFROXOHUNHVKQQF-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.62
Rot. Bonds7

About N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide

N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide (PubChem CID 163237721) has the molecular formula C21H24F2N4O3 and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide
PubChem CID163237721
Molecular FormulaC21H24F2N4O3
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC NameN-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CC(c2ccc(=O)[nH]c2)C(F)(F)C1
InChIInChI=1S/C21H24F2N4O3/c1-13(20(29)26-18-6-5-16(9-24-18)30-11-14-2-3-14)27-10-17(21(22,23)12-27)15-4-7-19(28)25-8-15/h4-9,13-14,17H,2-3,10-12H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyFROXOHUNHVKQQF-UHFFFAOYSA-N
XLogP2.62
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide (CID 163237721) is N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide is CC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CC(c2ccc(=O)[nH]c2)C(F)(F)C1.
What is the InChIKey of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is FROXOHUNHVKQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O3/c1-13(20(29)26-18-6-5-16(9-24-18)30-11-14-2-3-14)27-10-17(21(22,23)12-27)15-4-7-19(28)25-8-15/h4-9,13-14,17H,2-3,10-12H2,1H3,(H,25,28)(H,24,26,29).
What are the key properties of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide?
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 418.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 163237721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).