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

C16H13N5O — CID 146274100

IUPACN-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCNc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1
InChIInChI=1S/C16H13N5O/c1-18-15-9-7-12-6-8-14(21(12)20-15)16(22)19-13-5-3-2-4-11(13)10-17/h2-9H,1H3,(H,18,20)(H,19,22)
InChIKeyZEGDTCQBZMLSTH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.50
Rot. Bonds3

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

N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide (PubChem CID 146274100) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide
PubChem CID146274100
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCNc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1
InChIInChI=1S/C16H13N5O/c1-18-15-9-7-12-6-8-14(21(12)20-15)16(22)19-13-5-3-2-4-11(13)10-17/h2-9H,1H3,(H,18,20)(H,19,22)
InChIKeyZEGDTCQBZMLSTH-UHFFFAOYSA-N
XLogP2.50
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminopiperidin-1-yl)-N-(2-cyanophenyl)pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 146271679
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
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
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248810
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815
(2-cyanophenyl)urea
CID 13155570
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide (CID 146274100) is N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide is CNc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is ZEGDTCQBZMLSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-18-15-9-7-12-6-8-14(21(12)20-15)16(22)19-13-5-3-2-4-11(13)10-17/h2-9H,1H3,(H,18,20)(H,19,22).
What are the key properties of N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide?
N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 146274100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).