N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C21H19F3N4O — CID 2741633

IUPACN-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)17-8-4-10-25-19(17)27-11-13-28(14-12-27)20(29)26-18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2,(H,26,29)
InChIKeyMVOJQQORJKALCC-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.61
Rot. Bonds2

About N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 2741633) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID2741633
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC NameN-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)17-8-4-10-25-19(17)27-11-13-28(14-12-27)20(29)26-18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2,(H,26,29)
InChIKeyMVOJQQORJKALCC-UHFFFAOYSA-N
XLogP4.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 2741633) is N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is MVOJQQORJKALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)17-8-4-10-25-19(17)27-11-13-28(14-12-27)20(29)26-18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2,(H,26,29).
What are the key properties of N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 2741633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).