5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide

C17H18N4O3 — CID 37396639

IUPAC5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cn1
InChIInChI=1S/C17H18N4O3/c1-11-9-19-14(10-18-11)16(22)20-12-4-6-13(7-5-12)21-17(23)15-3-2-8-24-15/h4-7,9-10,15H,2-3,8H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyBKERNJHFXNDHCI-HNNXBMFYSA-N
MW326.36 g/mol
LogP2.15
Rot. Bonds4

About 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide

5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide (PubChem CID 37396639) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
PubChem CID37396639
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cn1
InChIInChI=1S/C17H18N4O3/c1-11-9-19-14(10-18-11)16(22)20-12-4-6-13(7-5-12)21-17(23)15-3-2-8-24-15/h4-7,9-10,15H,2-3,8H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyBKERNJHFXNDHCI-HNNXBMFYSA-N
XLogP2.15
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 45154182
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide (CID 37396639) is 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cn1.
What is the InChIKey of 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide?
The InChIKey is BKERNJHFXNDHCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-9-19-14(10-18-11)16(22)20-12-4-6-13(7-5-12)21-17(23)15-3-2-8-24-15/h4-7,9-10,15H,2-3,8H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide?
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 37396639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).