N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

C23H32N8O4 — CID 11882486

IUPACN-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(C(=O)N2CC[C@H](NC(=O)c3cnccn3)C[C@H]2C(=O)N[C@H](CC(C)C)C(N)=O)n(C)n1
InChIInChI=1S/C23H32N8O4/c1-13(2)9-16(20(24)32)28-22(34)18-11-15(27-21(33)17-12-25-6-7-26-17)5-8-31(18)23(35)19-10-14(3)29-30(19)4/h6-7,10,12-13,15-16,18H,5,8-9,11H2,1-4H3,(H2,24,32)(H,27,33)(H,28,34)/t15-,16+,18-/m0/s1
InChIKeyPJGQUZJPRUOJRZ-JZXOWHBKSA-N
MW484.56 g/mol
LogP-0.06
Rot. Bonds8

About N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 11882486) has the molecular formula C23H32N8O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID11882486
Molecular FormulaC23H32N8O4
Molecular Weight484.56 g/mol
Exact Mass484.25
IUPAC NameN-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(C(=O)N2CC[C@H](NC(=O)c3cnccn3)C[C@H]2C(=O)N[C@H](CC(C)C)C(N)=O)n(C)n1
InChIInChI=1S/C23H32N8O4/c1-13(2)9-16(20(24)32)28-22(34)18-11-15(27-21(33)17-12-25-6-7-26-17)5-8-31(18)23(35)19-10-14(3)29-30(19)4/h6-7,10,12-13,15-16,18H,5,8-9,11H2,1-4H3,(H2,24,32)(H,27,33)(H,28,34)/t15-,16+,18-/m0/s1
InChIKeyPJGQUZJPRUOJRZ-JZXOWHBKSA-N
XLogP-0.06
TPSA165.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

2-[2-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-(pyrazine-2-carbonylamino)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 7134339
1-[(2R,4S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(pyrazine-2-carbonyl)piperidin-4-yl]triazole-4,5-dicarboxamide
CID 163079818
(2S,4S)-N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(2-methyl-1,3-thiazole-4-carbonyl)-4-(piperidine-4-carbonylamino)piperidine-2-carboxamide
CID 11882489
N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-4-(piperidine-4-carbonylamino)piperidine-2-carboxamide
CID 3416861
N-[(3S,5R)-5-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 162811113
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-2-carbothioamide
CID 66126482
CID 174991169
CID 174991169
N-(1-amino-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 63888138
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172902959
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide
CID 175901788

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 11882486) is N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cnccn3)C[C@H]2C(=O)N[C@H](CC(C)C)C(N)=O)n(C)n1.
What is the InChIKey of N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is PJGQUZJPRUOJRZ-JZXOWHBKSA-N. The full InChI is InChI=1S/C23H32N8O4/c1-13(2)9-16(20(24)32)28-22(34)18-11-15(27-21(33)17-12-25-6-7-26-17)5-8-31(18)23(35)19-10-14(3)29-30(19)4/h6-7,10,12-13,15-16,18H,5,8-9,11H2,1-4H3,(H2,24,32)(H,27,33)(H,28,34)/t15-,16+,18-/m0/s1.
What are the key properties of N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of -0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 11882486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).