6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide

C23H23FN6O2 — CID 91187422

IUPAC6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nn1
InChIInChI=1S/C23H23FN6O2/c24-17-3-1-2-15(12-17)20-6-4-16(13-26-20)23(32)27-18-8-10-30(11-9-18)14-19-5-7-21(22(25)31)29-28-19/h1-7,12-13,18H,8-11,14H2,(H2,25,31)(H,27,32)
InChIKeyLPZZZXHOCFSVPD-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.17
Rot. Bonds6

About 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide

6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide (PubChem CID 91187422) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
PubChem CID91187422
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nn1
InChIInChI=1S/C23H23FN6O2/c24-17-3-1-2-15(12-17)20-6-4-16(13-26-20)23(32)27-18-8-10-30(11-9-18)14-19-5-7-21(22(25)31)29-28-19/h1-7,12-13,18H,8-11,14H2,(H2,25,31)(H,27,32)
InChIKeyLPZZZXHOCFSVPD-UHFFFAOYSA-N
XLogP2.17
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268195
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
6-(3-fluorophenyl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267267
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67267469
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268004
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]acetic acid
CID 69295626
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267152
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268736

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide (CID 91187422) is 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide is NC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nn1.
What is the InChIKey of 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is LPZZZXHOCFSVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c24-17-3-1-2-15(12-17)20-6-4-16(13-26-20)23(32)27-18-8-10-30(11-9-18)14-19-5-7-21(22(25)31)29-28-19/h1-7,12-13,18H,8-11,14H2,(H2,25,31)(H,27,32).
What are the key properties of 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide?
6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 91187422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).