3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide

C48H49N11O6 — CID 159712306

IUPAC3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCOCC2)c2ccccc12.O=C(NCC1CCOCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C25H25N7O3.C23H24N4O3/c33-24(21-6-5-18(16-32-12-11-29-31-32)19-3-1-2-4-20(19)21)30-23-22(26-9-10-27-23)25(34)28-15-17-7-13-35-14-8-17;1-15-6-7-19(18-5-3-2-4-17(15)18)22(28)27-21-20(24-10-11-25-21)23(29)26-14-16-8-12-30-13-9-16/h1-6,9-12,17H,7-8,13-16H2,(H,28,34)(H,27,30,33);2-7,10-11,16H,8-9,12-14H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyMYZLPDNBOGNUQZ-UHFFFAOYSA-N
MW875.99 g/mol
LogP6.03
Rot. Bonds12

About 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide

3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide (PubChem CID 159712306) has the molecular formula C48H49N11O6 and a molecular weight of 875.99 g/mol. Its IUPAC name is 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide
PubChem CID159712306
Molecular FormulaC48H49N11O6
Molecular Weight875.99 g/mol
Exact Mass875.39
IUPAC Name3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCOCC2)c2ccccc12.O=C(NCC1CCOCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C25H25N7O3.C23H24N4O3/c33-24(21-6-5-18(16-32-12-11-29-31-32)19-3-1-2-4-20(19)21)30-23-22(26-9-10-27-23)25(34)28-15-17-7-13-35-14-8-17;1-15-6-7-19(18-5-3-2-4-17(15)18)22(28)27-21-20(24-10-11-25-21)23(29)26-14-16-8-12-30-13-9-16/h1-6,9-12,17H,7-8,13-16H2,(H,28,34)(H,27,30,33);2-7,10-11,16H,8-9,12-14H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyMYZLPDNBOGNUQZ-UHFFFAOYSA-N
XLogP6.03
TPSA217.13 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.99
LogP ≤ 56.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide (CID 159712306) is 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCOCC2)c2ccccc12.O=C(NCC1CCOCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.
What is the InChIKey of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide?
The InChIKey is MYZLPDNBOGNUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3.C23H24N4O3/c33-24(21-6-5-18(16-32-12-11-29-31-32)19-3-1-2-4-20(19)21)30-23-22(26-9-10-27-23)25(34)28-15-17-7-13-35-14-8-17;1-15-6-7-19(18-5-3-2-4-17(15)18)22(28)27-21-20(24-10-11-25-21)23(29)26-14-16-8-12-30-13-9-16/h1-6,9-12,17H,7-8,13-16H2,(H,28,34)(H,27,30,33);2-7,10-11,16H,8-9,12-14H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide?
3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide has a molecular weight of 875.99 g/mol, XLogP of 6.03, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 159712306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).