6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide

C17H16F2N4O — CID 133479996

IUPAC6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)nn1
InChIInChI=1S/C17H16F2N4O/c18-13-2-1-12(10-14(13)19)9-11-5-7-23(8-6-11)16-4-3-15(17(20)24)21-22-16/h1-4,9-10H,5-8H2,(H2,20,24)
InChIKeyACTMXUKERSPINZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.54
Rot. Bonds3

About 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide

6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 133479996) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID133479996
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)nn1
InChIInChI=1S/C17H16F2N4O/c18-13-2-1-12(10-14(13)19)9-11-5-7-23(8-6-11)16-4-3-15(17(20)24)21-22-16/h1-4,9-10H,5-8H2,(H2,20,24)
InChIKeyACTMXUKERSPINZ-UHFFFAOYSA-N
XLogP2.54
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133480119
2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine
CID 133480016
[1-[6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 127891054
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 75377748
2-[1-[2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid
CID 166275416
N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121816
2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide
CID 175939272
(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570
6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide
CID 176986123

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide (CID 133479996) is 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide is NC(=O)c1ccc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)nn1.
What is the InChIKey of 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is ACTMXUKERSPINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c18-13-2-1-12(10-14(13)19)9-11-5-7-23(8-6-11)16-4-3-15(17(20)24)21-22-16/h1-4,9-10H,5-8H2,(H2,20,24).
What are the key properties of 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide?
6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133479996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).