1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide

C19H19FN6O — CID 67451928

IUPAC1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)c1
InChIInChI=1S/C19H19FN6O/c20-14-3-1-9-22-17(14)19(7-2-8-19)12-23-15-4-5-16(25-24-15)26-10-6-13(11-26)18(21)27/h1,3-6,9-11H,2,7-8,12H2,(H2,21,27)(H,23,24)
InChIKeyWLMKFPQYBKHCOM-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.43
Rot. Bonds6

About 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide

1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide (PubChem CID 67451928) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide
PubChem CID67451928
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)c1
InChIInChI=1S/C19H19FN6O/c20-14-3-1-9-22-17(14)19(7-2-8-19)12-23-15-4-5-16(25-24-15)26-10-6-13(11-26)18(21)27/h1,3-6,9-11H,2,7-8,12H2,(H2,21,27)(H,23,24)
InChIKeyWLMKFPQYBKHCOM-UHFFFAOYSA-N
XLogP2.43
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide with MolForge

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Related Compounds

Ck-2127107
CID 67454400
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridazin-3-yl)benzamide
CID 50899554
3-[6-[[1-(3-Fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 68231964
3-[6-[(1-Pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzamide
CID 68232188
US10344025, Example 541
CID 118640479
1-[4-(Cyanomethyl)-1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89462345
1-[1-Benzyl-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89462380
1-[4-(Cyanomethyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89473505
1-[4-(Cyanomethyl)-1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89473725
US10040779, Example 76
CID 90216598
1-[4-(Cyanomethyl)-1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90331688

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide (CID 67451928) is 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide is NC(=O)c1ccn(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)c1.
What is the InChIKey of 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide?
The InChIKey is WLMKFPQYBKHCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-14-3-1-9-22-17(14)19(7-2-8-19)12-23-15-4-5-16(25-24-15)26-10-6-13(11-26)18(21)27/h1,3-6,9-11H,2,7-8,12H2,(H2,21,27)(H,23,24).
What are the key properties of 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide?
1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 67451928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).