N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C30H34FN5O5 — CID 56652036

IUPACN-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N[C@@H]4CCN(Cc5cc(C)on5)C[C@@H]4F)cn3)CC2)cc1
InChIInChI=1S/C30H34FN5O5/c1-19-15-23(34-41-19)17-35-12-11-26(25(31)18-35)33-29(38)22-5-8-27(32-16-22)30(39)36-13-9-21(10-14-36)28(37)20-3-6-24(40-2)7-4-20/h3-8,15-16,21,25-26H,9-14,17-18H2,1-2H3,(H,33,38)/t25-,26+/m0/s1
InChIKeyHJLLFICFQXAIAT-IZZNHLLZSA-N
MW563.63 g/mol
LogP3.46
Rot. Bonds8

About N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 56652036) has the molecular formula C30H34FN5O5 and a molecular weight of 563.63 g/mol. Its IUPAC name is N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID56652036
Molecular FormulaC30H34FN5O5
Molecular Weight563.63 g/mol
Exact Mass563.25
IUPAC NameN-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N[C@@H]4CCN(Cc5cc(C)on5)C[C@@H]4F)cn3)CC2)cc1
InChIInChI=1S/C30H34FN5O5/c1-19-15-23(34-41-19)17-35-12-11-26(25(31)18-35)33-29(38)22-5-8-27(32-16-22)30(39)36-13-9-21(10-14-36)28(37)20-3-6-24(40-2)7-4-20/h3-8,15-16,21,25-26H,9-14,17-18H2,1-2H3,(H,33,38)/t25-,26+/m0/s1
InChIKeyHJLLFICFQXAIAT-IZZNHLLZSA-N
XLogP3.46
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.63
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-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-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 56652036) is N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N[C@@H]4CCN(Cc5cc(C)on5)C[C@@H]4F)cn3)CC2)cc1.
What is the InChIKey of N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is HJLLFICFQXAIAT-IZZNHLLZSA-N. The full InChI is InChI=1S/C30H34FN5O5/c1-19-15-23(34-41-19)17-35-12-11-26(25(31)18-35)33-29(38)22-5-8-27(32-16-22)30(39)36-13-9-21(10-14-36)28(37)20-3-6-24(40-2)7-4-20/h3-8,15-16,21,25-26H,9-14,17-18H2,1-2H3,(H,33,38)/t25-,26+/m0/s1.
What are the key properties of N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 563.63 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 56652036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).