N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide

C25H29FN4O5 — CID 70889938

IUPACN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(O)C(=O)c1c(F)cccc1N1CCC(CNC(=O)C2(NC(=O)c3cccc(=O)[nH]3)CC2)CC1
InChIInChI=1S/C25H29FN4O5/c1-15(31)22(33)21-17(26)4-2-6-19(21)30-12-8-16(9-13-30)14-27-24(35)25(10-11-25)29-23(34)18-5-3-7-20(32)28-18/h2-7,15-16,31H,8-14H2,1H3,(H,27,35)(H,28,32)(H,29,34)
InChIKeyLNSMFYFZKKLXMF-UHFFFAOYSA-N
MW484.53 g/mol
LogP1.37
Rot. Bonds8

About N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide

N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 70889938) has the molecular formula C25H29FN4O5 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID70889938
Molecular FormulaC25H29FN4O5
Molecular Weight484.53 g/mol
Exact Mass484.21
IUPAC NameN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(O)C(=O)c1c(F)cccc1N1CCC(CNC(=O)C2(NC(=O)c3cccc(=O)[nH]3)CC2)CC1
InChIInChI=1S/C25H29FN4O5/c1-15(31)22(33)21-17(26)4-2-6-19(21)30-12-8-16(9-13-30)14-27-24(35)25(10-11-25)29-23(34)18-5-3-7-20(32)28-18/h2-7,15-16,31H,8-14H2,1H3,(H,27,35)(H,28,32)(H,29,34)
InChIKeyLNSMFYFZKKLXMF-UHFFFAOYSA-N
XLogP1.37
TPSA131.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide (CID 70889938) is N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide is CC(O)C(=O)c1c(F)cccc1N1CCC(CNC(=O)C2(NC(=O)c3cccc(=O)[nH]3)CC2)CC1.
What is the InChIKey of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is LNSMFYFZKKLXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5/c1-15(31)22(33)21-17(26)4-2-6-19(21)30-12-8-16(9-13-30)14-27-24(35)25(10-11-25)29-23(34)18-5-3-7-20(32)28-18/h2-7,15-16,31H,8-14H2,1H3,(H,27,35)(H,28,32)(H,29,34).
What are the key properties of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 1.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 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]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 70889938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).