N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate

C44H45N7O5 — CID 158184406

IUPACN-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
SMILESCCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCCCC2)c2ccccc12.CCc1ccc(C(=O)Nc2nccnc2C(=O)OC)c2ccccc12
InChIInChI=1S/C25H28N4O2.C19H17N3O3/c1-2-18-12-13-21(20-11-7-6-10-19(18)20)24(30)29-23-22(26-14-15-27-23)25(31)28-16-17-8-4-3-5-9-17;1-3-12-8-9-15(14-7-5-4-6-13(12)14)18(23)22-17-16(19(24)25-2)20-10-11-21-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,28,31)(H,27,29,30);4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyFYYXPGIJFVEKEL-UHFFFAOYSA-N
MW751.89 g/mol
LogP7.99
Rot. Bonds10

About N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate

N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate (PubChem CID 158184406) has the molecular formula C44H45N7O5 and a molecular weight of 751.89 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
PubChem CID158184406
Molecular FormulaC44H45N7O5
Molecular Weight751.89 g/mol
Exact Mass751.35
IUPAC NameN-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
SMILESCCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCCCC2)c2ccccc12.CCc1ccc(C(=O)Nc2nccnc2C(=O)OC)c2ccccc12
InChIInChI=1S/C25H28N4O2.C19H17N3O3/c1-2-18-12-13-21(20-11-7-6-10-19(18)20)24(30)29-23-22(26-14-15-27-23)25(31)28-16-17-8-4-3-5-9-17;1-3-12-8-9-15(14-7-5-4-6-13(12)14)18(23)22-17-16(19(24)25-2)20-10-11-21-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,28,31)(H,27,29,30);4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyFYYXPGIJFVEKEL-UHFFFAOYSA-N
XLogP7.99
TPSA165.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 57.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
The IUPAC name of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate (CID 158184406) is N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate is CCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCCCC2)c2ccccc12.CCc1ccc(C(=O)Nc2nccnc2C(=O)OC)c2ccccc12.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
The InChIKey is FYYXPGIJFVEKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C19H17N3O3/c1-2-18-12-13-21(20-11-7-6-10-19(18)20)24(30)29-23-22(26-14-15-27-23)25(31)28-16-17-8-4-3-5-9-17;1-3-12-8-9-15(14-7-5-4-6-13(12)14)18(23)22-17-16(19(24)25-2)20-10-11-21-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,28,31)(H,27,29,30);4-11H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate?
N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate has a molecular weight of 751.89 g/mol, XLogP of 7.99, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 158184406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).