N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide

C24H28FN5O4 — CID 70889676

IUPACN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
SMILESCC(O)C(=O)c1c(F)cccc1N1CCC(CNC(=O)C2(NC(=O)c3ccnnc3)CC2)CC1
InChIInChI=1S/C24H28FN5O4/c1-15(31)21(32)20-18(25)3-2-4-19(20)30-11-6-16(7-12-30)13-26-23(34)24(8-9-24)29-22(33)17-5-10-27-28-14-17/h2-5,10,14-16,31H,6-9,11-13H2,1H3,(H,26,34)(H,29,33)
InChIKeyMKGWYNOAWMVBEX-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.47
Rot. Bonds8

About N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide

N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide (PubChem CID 70889676) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
PubChem CID70889676
Molecular FormulaC24H28FN5O4
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC NameN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
SMILESCC(O)C(=O)c1c(F)cccc1N1CCC(CNC(=O)C2(NC(=O)c3ccnnc3)CC2)CC1
InChIInChI=1S/C24H28FN5O4/c1-15(31)21(32)20-18(25)3-2-4-19(20)30-11-6-16(7-12-30)13-26-23(34)24(8-9-24)29-22(33)17-5-10-27-28-14-17/h2-5,10,14-16,31H,6-9,11-13H2,1H3,(H,26,34)(H,29,33)
InChIKeyMKGWYNOAWMVBEX-UHFFFAOYSA-N
XLogP1.47
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide
CID 70889913
N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 70889938
N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70889857
methyl 2-fluoro-6-[4-[[[1-(pyridine-4-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]benzoate
CID 46215482
methyl 2-[4-[[[1-[[(2,4-dimethylpyrimidin-5-yl)-hydroxymethyl]amino]cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]-6-fluorobenzoate
CID 90816009
methyl 2-chloro-6-[4-[[[1-(1,2-oxazole-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]benzoate
CID 46214149
N-[1-[[1-[5-chloro-2-[hydroxy(methoxy)methyl]phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 90762626
N-[1-[[1-[2-(benzylcarbamoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 46214323
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
methyl 3-fluoro-5-[4-[[[1-(pyrimidin-5-yloxycarbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]pyridine-4-carboxylate
CID 68607483
methyl 2-[4-[[[1-[[(E)-3-amino-2-(ethenyliminomethyl)prop-2-enoyl]amino]cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]-6-methoxybenzoate
CID 89070281
N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 71025754

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide (CID 70889676) is N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide is CC(O)C(=O)c1c(F)cccc1N1CCC(CNC(=O)C2(NC(=O)c3ccnnc3)CC2)CC1.
What is the InChIKey of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide?
The InChIKey is MKGWYNOAWMVBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-15(31)21(32)20-18(25)3-2-4-19(20)30-11-6-16(7-12-30)13-26-23(34)24(8-9-24)29-22(33)17-5-10-27-28-14-17/h2-5,10,14-16,31H,6-9,11-13H2,1H3,(H,26,34)(H,29,33).
What are the key properties of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide?
N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide is sourced from PubChem (CID 70889676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).