6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C17H23N7O — CID 71626755

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/m0/s1
InChIKeyLQCUMLOMFBTKNQ-NWDGAFQWSA-N
MW341.42 g/mol
LogP1.70
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626755) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626755
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/m0/s1
InChIKeyLQCUMLOMFBTKNQ-NWDGAFQWSA-N
XLogP1.70
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626755) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is LQCUMLOMFBTKNQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).