N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide

C20H23F2N5O2 — CID 174231084

IUPACN-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(C2CC2)cn1)N1CCC(F)(F)C(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C20H23F2N5O2/c1-12(19(29)24-17-6-4-14(10-23-17)13-2-3-13)27-9-8-20(21,22)15(11-27)16-5-7-18(28)26-25-16/h4-7,10,12-13,15H,2-3,8-9,11H2,1H3,(H,26,28)(H,23,24,29)
InChIKeyRTOAUDQMCGMAKG-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.49
Rot. Bonds5

About N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide

N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide (PubChem CID 174231084) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
PubChem CID174231084
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC NameN-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(C2CC2)cn1)N1CCC(F)(F)C(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C20H23F2N5O2/c1-12(19(29)24-17-6-4-14(10-23-17)13-2-3-13)27-9-8-20(21,22)15(11-27)16-5-7-18(28)26-25-16/h4-7,10,12-13,15H,2-3,8-9,11H2,1H3,(H,26,28)(H,23,24,29)
InChIKeyRTOAUDQMCGMAKG-UHFFFAOYSA-N
XLogP2.49
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[5-[(E)-2-cyclopropylethenyl]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 163238110
N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230866
cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate
CID 174230952
2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(3,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 174230805
2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 174230807
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide
CID 174230845
(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide
CID 163237824
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174231004
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734757
N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230876
2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[6-(2,2-dimethylpropoxy)pyridazin-3-yl]propanamide
CID 174231018
(2S)-2-[(3R)-4,4-difluoro-3-[5-oxo-4-(2,2,2-trifluoroethyl)pyrazin-2-yl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 163237776

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide (CID 174231084) is N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(C2CC2)cn1)N1CCC(F)(F)C(c2ccc(=O)[nH]n2)C1.
What is the InChIKey of N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is RTOAUDQMCGMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c1-12(19(29)24-17-6-4-14(10-23-17)13-2-3-13)27-9-8-20(21,22)15(11-27)16-5-7-18(28)26-25-16/h4-7,10,12-13,15H,2-3,8-9,11H2,1H3,(H,26,28)(H,23,24,29).
What are the key properties of N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 403.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 174231084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).