4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

C19H20N8O — CID 123830559

IUPAC4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCC1CN(c2ccc(C#N)cn2)CCC1Nc1c(C(N)=O)nnc2[nH]ccc12
InChIInChI=1S/C19H20N8O/c1-11-10-27(15-3-2-12(8-20)9-23-15)7-5-14(11)24-16-13-4-6-22-19(13)26-25-17(16)18(21)28/h2-4,6,9,11,14H,5,7,10H2,1H3,(H2,21,28)(H2,22,24,26)
InChIKeyUNIFIVYKRMGXJC-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.65
Rot. Bonds4

About 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 123830559) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID123830559
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCC1CN(c2ccc(C#N)cn2)CCC1Nc1c(C(N)=O)nnc2[nH]ccc12
InChIInChI=1S/C19H20N8O/c1-11-10-27(15-3-2-12(8-20)9-23-15)7-5-14(11)24-16-13-4-6-22-19(13)26-25-17(16)18(21)28/h2-4,6,9,11,14H,5,7,10H2,1H3,(H2,21,28)(H2,22,24,26)
InChIKeyUNIFIVYKRMGXJC-UHFFFAOYSA-N
XLogP1.65
TPSA136.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide with MolForge

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Related Compounds

4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292038
4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291951
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526
4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
CID 67965197
4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292043
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
CID 123851752
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
CID 58440219
6-[(3aS)-3a-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]pyridine-3-carbonitrile
CID 142402868
6-[(3R)-3-(4-oxo-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 67278487
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (CID 123830559) is 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is CC1CN(c2ccc(C#N)cn2)CCC1Nc1c(C(N)=O)nnc2[nH]ccc12.
What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is UNIFIVYKRMGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-11-10-27(15-3-2-12(8-20)9-23-15)7-5-14(11)24-16-13-4-6-22-19(13)26-25-17(16)18(21)28/h2-4,6,9,11,14H,5,7,10H2,1H3,(H2,21,28)(H2,22,24,26).
What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 123830559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).