N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N4O4 — CID 154886194

IUPACN,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccnc1CN(C)C(=O)C1=NN(C)C(=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4O2.C2HF3O2/c1-10-5-4-8-15-12(10)9-17(2)14(20)11-6-7-13(19)18(3)16-11;3-2(4,5)1(6)7/h4-5,8H,6-7,9H2,1-3H3;(H,6,7)
InChIKeyNQLPKKZVURPICZ-UHFFFAOYSA-N
MW388.35 g/mol
LogP1.59
Rot. Bonds3

About N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid

N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154886194) has the molecular formula C16H19F3N4O4 and a molecular weight of 388.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154886194
Molecular FormulaC16H19F3N4O4
Molecular Weight388.35 g/mol
Exact Mass388.14
IUPAC NameN,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccnc1CN(C)C(=O)C1=NN(C)C(=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4O2.C2HF3O2/c1-10-5-4-8-15-12(10)9-17(2)14(20)11-6-7-13(19)18(3)16-11;3-2(4,5)1(6)7/h4-5,8H,6-7,9H2,1-3H3;(H,6,7)
InChIKeyNQLPKKZVURPICZ-UHFFFAOYSA-N
XLogP1.59
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154886194) is N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1cccnc1CN(C)C(=O)C1=NN(C)C(=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NQLPKKZVURPICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.C2HF3O2/c1-10-5-4-8-15-12(10)9-17(2)14(20)11-6-7-13(19)18(3)16-11;3-2(4,5)1(6)7/h4-5,8H,6-7,9H2,1-3H3;(H,6,7).
What are the key properties of N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 388.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).