2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide

C20H20N6O — CID 146271679

IUPAC2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc2ccc(N3CCCCC3N)nn12
InChIInChI=1S/C20H20N6O/c21-13-14-5-1-2-6-16(14)23-20(27)17-10-8-15-9-11-19(24-26(15)17)25-12-4-3-7-18(25)22/h1-2,5-6,8-11,18H,3-4,7,12,22H2,(H,23,27)
InChIKeyOECQNRKNVKAZTN-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide

2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide (PubChem CID 146271679) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide
PubChem CID146271679
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc2ccc(N3CCCCC3N)nn12
InChIInChI=1S/C20H20N6O/c21-13-14-5-1-2-6-16(14)23-20(27)17-10-8-15-9-11-19(24-26(15)17)25-12-4-3-7-18(25)22/h1-2,5-6,8-11,18H,3-4,7,12,22H2,(H,23,27)
InChIKeyOECQNRKNVKAZTN-UHFFFAOYSA-N
XLogP2.73
TPSA99.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 146274100
N-(2-cyanophenyl)-2-[[(3R)-piperidin-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134263672
4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43642256
N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044383
N-(2-cyanophenyl)-2-(5,8-diazaspiro[2.6]nonan-8-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134263612
(2-cyanophenyl)urea
CID 13155570
(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
CID 112735200
N-(4-cyanothiophen-3-yl)-2-[[(3R)-piperidin-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122515102
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-(2-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 84578849
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide (CID 146271679) is 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide is N#Cc1ccccc1NC(=O)c1ccc2ccc(N3CCCCC3N)nn12.
What is the InChIKey of 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is OECQNRKNVKAZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c21-13-14-5-1-2-6-16(14)23-20(27)17-10-8-15-9-11-19(24-26(15)17)25-12-4-3-7-18(25)22/h1-2,5-6,8-11,18H,3-4,7,12,22H2,(H,23,27).
What are the key properties of 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide?
2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 146271679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).