6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide

C17H20N8O2 — CID 164598893

IUPAC6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C#N)nc2)cc1NC[C@@H]1CNCCO1
InChIInChI=1S/C17H20N8O2/c1-19-17(26)16-14(22-10-13-9-20-4-5-27-13)6-15(24-25-16)23-12-3-2-11(7-18)21-8-12/h2-3,6,8,13,20H,4-5,9-10H2,1H3,(H,19,26)(H2,22,23,24)/t13-/m0/s1
InChIKeyMQUFLSKQWASDME-ZDUSSCGKSA-N
MW368.40 g/mol
LogP0.25
Rot. Bonds6

About 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide

6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide (PubChem CID 164598893) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide
PubChem CID164598893
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C#N)nc2)cc1NC[C@@H]1CNCCO1
InChIInChI=1S/C17H20N8O2/c1-19-17(26)16-14(22-10-13-9-20-4-5-27-13)6-15(24-25-16)23-12-3-2-11(7-18)21-8-12/h2-3,6,8,13,20H,4-5,9-10H2,1H3,(H,19,26)(H2,22,23,24)/t13-/m0/s1
InChIKeyMQUFLSKQWASDME-ZDUSSCGKSA-N
XLogP0.25
TPSA136.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 155594611
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
CID 164599054
6-[(5-cyanopyrimidin-2-yl)amino]-4-[[(7S)-6,8-dimethyl-1,4-oxazocan-7-yl]methylamino]-N-methylpyridazine-3-carboxamide
CID 155595020
5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
5-[[6-isocyano-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164942061
5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594915
5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594643
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595004
5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594612

Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide (CID 164598893) is 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc(C#N)nc2)cc1NC[C@@H]1CNCCO1.
What is the InChIKey of 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide?
The InChIKey is MQUFLSKQWASDME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-19-17(26)16-14(22-10-13-9-20-4-5-27-13)6-15(24-25-16)23-12-3-2-11(7-18)21-8-12/h2-3,6,8,13,20H,4-5,9-10H2,1H3,(H,19,26)(H2,22,23,24)/t13-/m0/s1.
What are the key properties of 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide?
6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-cyano-3-pyridinyl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 164598893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).