N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

C30H35FN4O4 — CID 58347781

IUPACN-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(CC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)c1
InChIInChI=1S/C30H35FN4O4/c1-34(2)15-12-33-30(37)24-16-23(19-32-20-24)18-29(36)35-13-10-28(11-14-35)39-27-8-6-26(7-9-27)38-21-22-4-3-5-25(31)17-22/h3-9,16-17,19-20,28H,10-15,18,21H2,1-2H3,(H,33,37)
InChIKeyKAIGISAGODONOB-UHFFFAOYSA-N
MW534.63 g/mol
LogP3.70
Rot. Bonds11

About N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 58347781) has the molecular formula C30H35FN4O4 and a molecular weight of 534.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID58347781
Molecular FormulaC30H35FN4O4
Molecular Weight534.63 g/mol
Exact Mass534.26
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(CC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)c1
InChIInChI=1S/C30H35FN4O4/c1-34(2)15-12-33-30(37)24-16-23(19-32-20-24)18-29(36)35-13-10-28(11-14-35)39-27-8-6-26(7-9-27)38-21-22-4-3-5-25(31)17-22/h3-9,16-17,19-20,28H,10-15,18,21H2,1-2H3,(H,33,37)
InChIKeyKAIGISAGODONOB-UHFFFAOYSA-N
XLogP3.70
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.63
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]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-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 58347781) is N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(CC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is KAIGISAGODONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O4/c1-34(2)15-12-33-30(37)24-16-23(19-32-20-24)18-29(36)35-13-10-28(11-14-35)39-27-8-6-26(7-9-27)38-21-22-4-3-5-25(31)17-22/h3-9,16-17,19-20,28H,10-15,18,21H2,1-2H3,(H,33,37).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 534.63 g/mol, XLogP of 3.70, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58347781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).