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

C18H25N7O3 — CID 71626968

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC
InChIInChI=1S/C18H25N7O3/c1-27-13-7-8-14(23-18(13)28-2)22-12-9-15(24-25-16(12)17(20)26)21-11-6-4-3-5-10(11)19/h7-11H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t10-,11+/m0/s1
InChIKeySTNAXKXNXRFLMU-WDEREUQCSA-N
MW387.44 g/mol
LogP1.41
Rot. Bonds7

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626968) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626968
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC
InChIInChI=1S/C18H25N7O3/c1-27-13-7-8-14(23-18(13)28-2)22-12-9-15(24-25-16(12)17(20)26)21-11-6-4-3-5-10(11)19/h7-11H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t10-,11+/m0/s1
InChIKeySTNAXKXNXRFLMU-WDEREUQCSA-N
XLogP1.41
TPSA150.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626968) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide is COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is STNAXKXNXRFLMU-WDEREUQCSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-27-13-7-8-14(23-18(13)28-2)22-12-9-15(24-25-16(12)17(20)26)21-11-6-4-3-5-10(11)19/h7-11H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t10-,11+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).