N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide

C23H21Cl2F3N4O2 — CID 10164630

IUPACN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide
SMILESO=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cc2cnccc2nc1C(F)(F)F
InChIInChI=1S/C23H21Cl2F3N4O2/c24-18-2-1-16(12-19(18)25)34-15-4-8-32(9-5-15)10-7-30-22(33)17-11-14-13-29-6-3-20(14)31-21(17)23(26,27)28/h1-3,6,11-13,15H,4-5,7-10H2,(H,30,33)
InChIKeyAYIHACXTQBPPAO-UHFFFAOYSA-N
MW513.35 g/mol
LogP5.23
Rot. Bonds6

About N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide (PubChem CID 10164630) has the molecular formula C23H21Cl2F3N4O2 and a molecular weight of 513.35 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide
PubChem CID10164630
Molecular FormulaC23H21Cl2F3N4O2
Molecular Weight513.35 g/mol
Exact Mass512.10
IUPAC NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide
SMILESO=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cc2cnccc2nc1C(F)(F)F
InChIInChI=1S/C23H21Cl2F3N4O2/c24-18-2-1-16(12-19(18)25)34-15-4-8-32(9-5-15)10-7-30-22(33)17-11-14-13-29-6-3-20(14)31-21(17)23(26,27)28/h1-3,6,11-13,15H,4-5,7-10H2,(H,30,33)
InChIKeyAYIHACXTQBPPAO-UHFFFAOYSA-N
XLogP5.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.35
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
6-chloro-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 86611245
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 91510380

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide (CID 10164630) is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide is O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cc2cnccc2nc1C(F)(F)F.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide?
The InChIKey is AYIHACXTQBPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2F3N4O2/c24-18-2-1-16(12-19(18)25)34-15-4-8-32(9-5-15)10-7-30-22(33)17-11-14-13-29-6-3-20(14)31-21(17)23(26,27)28/h1-3,6,11-13,15H,4-5,7-10H2,(H,30,33).
What are the key properties of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide?
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide has a molecular weight of 513.35 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 10164630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).