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

C20H29N7O2 — CID 71626041

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C
InChIInChI=1S/C20H29N7O2/c1-11(2)18-15(29-3)8-9-16(25-18)24-14-10-17(26-27-19(14)20(22)28)23-13-7-5-4-6-12(13)21/h8-13H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1
InChIKeyQSAQGWNYEHBCEH-QWHCGFSZSA-N
MW399.50 g/mol
LogP2.53
Rot. Bonds7

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626041) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626041
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C
InChIInChI=1S/C20H29N7O2/c1-11(2)18-15(29-3)8-9-16(25-18)24-14-10-17(26-27-19(14)20(22)28)23-13-7-5-4-6-12(13)21/h8-13H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1
InChIKeyQSAQGWNYEHBCEH-QWHCGFSZSA-N
XLogP2.53
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-((1R,2S)-2-aminocyclohexylamino)-4-(5-methoxy-6-propylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71625975
6-((3R,4R)-3-aminotetrahydro-2H-pyran-4-ylamino)-4-(6-isopropyl-5-methoxypyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626043
6-((1R,2S)-2-amino-cyclohexylamino)-4-(5,6-dimethoxy-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
CID 71626968
6-(2-Aminoethylamino)-4-(6-isopropyl-5-methoxypyridin-2-ylamino)pyridazine-3-carboxamide
CID 73777188
6-(2-Aminoethylamino)-4-(5-methoxy-6-propylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 73777210
6-(2-Aminoethoxy)-4-(5,6-dimethylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 73777169
6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 139512185
6-(2-Aminoethylamino)-4-(6-(2-methoxypropan-2-yl)pyridin-2-ylamino)pyridazine-3-carboxamide
CID 73777212
6-(2-Aminoethylamino)-4-(5-isopropyl-6-methoxypyridin-2-ylamino)pyridazine-3-carboxamide
CID 73777214
6-(2-Aminoethylamino)-4-(6-isopropoxypyridin-2-ylamino)pyridazine-3-carboxamide
CID 73777234
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide
CID 155350480
6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 167540910

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626041) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is QSAQGWNYEHBCEH-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-11(2)18-15(29-3)8-9-16(25-18)24-14-10-17(26-27-19(14)20(22)28)23-13-7-5-4-6-12(13)21/h8-13H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).