N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide

C19H22F3N5O2 — CID 154662408

IUPACN-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(NCc3ccccc3C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C19H22F3N5O2/c1-26-17(28)7-6-16(25-26)24-18(29)27-10-8-14(9-11-27)23-12-13-4-2-3-5-15(13)19(20,21)22/h2-7,14,23H,8-12H2,1H3,(H,24,25,29)
InChIKeyIIKNWTCZCKFZQG-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.59
Rot. Bonds4

About N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide

N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide (PubChem CID 154662408) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide
PubChem CID154662408
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC NameN-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(NCc3ccccc3C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C19H22F3N5O2/c1-26-17(28)7-6-16(25-26)24-18(29)27-10-8-14(9-11-27)23-12-13-4-2-3-5-15(13)19(20,21)22/h2-7,14,23H,8-12H2,1H3,(H,24,25,29)
InChIKeyIIKNWTCZCKFZQG-UHFFFAOYSA-N
XLogP2.59
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide (CID 154662408) is N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide is Cn1nc(NC(=O)N2CCC(NCc3ccccc3C(F)(F)F)CC2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide?
The InChIKey is IIKNWTCZCKFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-26-17(28)7-6-16(25-26)24-18(29)27-10-8-14(9-11-27)23-12-13-4-2-3-5-15(13)19(20,21)22/h2-7,14,23H,8-12H2,1H3,(H,24,25,29).
What are the key properties of N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide?
N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyridazin-3-yl)-4-[[2-(trifluoromethyl)phenyl]methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 154662408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).