N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide

C24H33FN4O2S — CID 15941085

IUPACN-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1
InChIInChI=1S/C24H33FN4O2S/c1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t17-/m1/s1
InChIKeyFEWLYIFTXKZRQA-QGZVFWFLSA-N
MW460.62 g/mol
LogP3.92
Rot. Bonds8

About N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide

N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide (PubChem CID 15941085) has the molecular formula C24H33FN4O2S and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
PubChem CID15941085
Molecular FormulaC24H33FN4O2S
Molecular Weight460.62 g/mol
Exact Mass460.23
IUPAC NameN-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1
InChIInChI=1S/C24H33FN4O2S/c1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t17-/m1/s1
InChIKeyFEWLYIFTXKZRQA-QGZVFWFLSA-N
XLogP3.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide (CID 15941085) is N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide is CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(F)nc2C)CC1.
What is the InChIKey of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is FEWLYIFTXKZRQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H33FN4O2S/c1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t17-/m1/s1.
What are the key properties of N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 15941085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).