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

C20H29N7O — CID 71625970

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C
InChIInChI=1S/C20H29N7O/c1-11(2)18-12(3)8-9-16(25-18)24-15-10-17(26-27-19(15)20(22)28)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t13-,14+/m0/s1
InChIKeyFOVSNASTDPXXSC-UONOGXRCSA-N
MW383.50 g/mol
LogP2.83
Rot. Bonds6

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71625970) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71625970
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C
InChIInChI=1S/C20H29N7O/c1-11(2)18-12(3)8-9-16(25-18)24-15-10-17(26-27-19(15)20(22)28)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t13-,14+/m0/s1
InChIKeyFOVSNASTDPXXSC-UONOGXRCSA-N
XLogP2.83
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(6-Ethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide
CID 71598532
6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(5,6-Dimethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide
CID 71626896
5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(4,6-dimethylpyridin-2-yl)amino]pyridine-2-carboxamide
CID 71533675
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733351
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 71544435
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71625972
6-((1R,2S)-2-aminocyclohexylamino)-4-(3,5-dimethylphenylamino)pyridazine-3-carboxamide
CID 71625973
6-((3R,4R)-3-aminotetrahydro-2H-pyran-4-ylamino)-4-(5-fluoro-6-isopropylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626102
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626162
6-(Cyclohexylamino)-4-(6-cyclopropylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626163
6-((1R,2S)-2-amino-cyclohexylamino)-4-(6-methyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
CID 71626755
6-((1R,2S)-2-aminocyclohexylamino)-4-(6-isopropylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626822

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71625970) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is Cc1ccc(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-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is FOVSNASTDPXXSC-UONOGXRCSA-N. The full InChI is InChI=1S/C20H29N7O/c1-11(2)18-12(3)8-9-16(25-18)24-15-10-17(26-27-19(15)20(22)28)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t13-,14+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.83, 6 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-methyl-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71625970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).