N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C20H25FN4O3 — CID 100699636

IUPACN-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](CCC(C)(C)C)C(N)=O)nn1-c1ccccc1F
InChIInChI=1S/C20H25FN4O3/c1-12-11-16(26)17(24-25(12)15-8-6-5-7-13(15)21)19(28)23-14(18(22)27)9-10-20(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H2,22,27)(H,23,28)/t14-/m1/s1
InChIKeyCMAJQYPRXWJQOR-CQSZACIVSA-N
MW388.44 g/mol
LogP2.09
Rot. Bonds6

About N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 100699636) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID100699636
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](CCC(C)(C)C)C(N)=O)nn1-c1ccccc1F
InChIInChI=1S/C20H25FN4O3/c1-12-11-16(26)17(24-25(12)15-8-6-5-7-13(15)21)19(28)23-14(18(22)27)9-10-20(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H2,22,27)(H,23,28)/t14-/m1/s1
InChIKeyCMAJQYPRXWJQOR-CQSZACIVSA-N
XLogP2.09
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

(2S)-2-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119360996
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N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 119666920
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
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N-(1-amino-2,4-dimethylpentan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 119598982
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CID 60566439
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CID 51924968
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CID 9076740
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46636739
2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532263
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]pyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 100699636) is N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@H](CCC(C)(C)C)C(N)=O)nn1-c1ccccc1F.
What is the InChIKey of N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is CMAJQYPRXWJQOR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-12-11-16(26)17(24-25(12)15-8-6-5-7-13(15)21)19(28)23-14(18(22)27)9-10-20(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H2,22,27)(H,23,28)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 100699636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).