6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C18H25N7O — CID 71626896

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C
InChIInChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyXJZVCDVZCRLIKN-QWHCGFSZSA-N
MW355.45 g/mol
LogP2.01
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626896) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626896
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C
InChIInChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyXJZVCDVZCRLIKN-QWHCGFSZSA-N
XLogP2.01
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626896) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide is Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is XJZVCDVZCRLIKN-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 2.01, 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-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).