ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate

C20H21N3O4 — CID 143144401

IUPACethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
SMILESCC.COC(=O)c1nccnc1NC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C18H15N3O4.C2H6/c1-24-14-8-7-13(11-5-3-4-6-12(11)14)17(22)21-16-15(18(23)25-2)19-9-10-20-16;1-2/h3-10H,1-2H3,(H,20,21,22);1-2H3
InChIKeyOWCPCPUFJHTYID-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.70
Rot. Bonds4

About ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate

ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate (PubChem CID 143144401) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
PubChem CID143144401
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Nameethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
SMILESCC.COC(=O)c1nccnc1NC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C18H15N3O4.C2H6/c1-24-14-8-7-13(11-5-3-4-6-12(11)14)17(22)21-16-15(18(23)25-2)19-9-10-20-16;1-2/h3-10H,1-2H3,(H,20,21,22);1-2H3
InChIKeyOWCPCPUFJHTYID-UHFFFAOYSA-N
XLogP3.70
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)naphthalene-1-carboxylic acid;methyl 3-aminopyrazine-2-carboxylate;methyl 3-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]pyrazine-2-carboxylate
CID 159217972
N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
CID 158184406
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
CID 110169740
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
N-isoquinolin-1-yl-2-methoxybenzamide
CID 53439282
3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63261817
N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
CID 11552525
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556
N-hydroxy-5-methoxyisoquinoline-1-carboxamide
CID 82574351

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
The IUPAC name of ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate (CID 143144401) is ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate is CC.COC(=O)c1nccnc1NC(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
The InChIKey is OWCPCPUFJHTYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4.C2H6/c1-24-14-8-7-13(11-5-3-4-6-12(11)14)17(22)21-16-15(18(23)25-2)19-9-10-20-16;1-2/h3-10H,1-2H3,(H,20,21,22);1-2H3.
What are the key properties of ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 143144401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).