3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide

C23H25N5O2 — CID 68820915

IUPAC3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCCCc1ccc(C(=O)NCc2cccc(-c3cnc(N)c(C(=O)NC)n3)c2)cc1
InChIInChI=1S/C23H25N5O2/c1-3-5-15-8-10-17(11-9-15)22(29)27-13-16-6-4-7-18(12-16)19-14-26-21(24)20(28-19)23(30)25-2/h4,6-12,14H,3,5,13H2,1-2H3,(H2,24,26)(H,25,30)(H,27,29)
InChIKeyLHANIJORFZVCQE-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.97
Rot. Bonds7

About 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 68820915) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
PubChem CID68820915
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCCCc1ccc(C(=O)NCc2cccc(-c3cnc(N)c(C(=O)NC)n3)c2)cc1
InChIInChI=1S/C23H25N5O2/c1-3-5-15-8-10-17(11-9-15)22(29)27-13-16-6-4-7-18(12-16)19-14-26-21(24)20(28-19)23(30)25-2/h4,6-12,14H,3,5,13H2,1-2H3,(H2,24,26)(H,25,30)(H,27,29)
InChIKeyLHANIJORFZVCQE-UHFFFAOYSA-N
XLogP2.97
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide (CID 68820915) is 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide is CCCc1ccc(C(=O)NCc2cccc(-c3cnc(N)c(C(=O)NC)n3)c2)cc1.
What is the InChIKey of 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is LHANIJORFZVCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-5-15-8-10-17(11-9-15)22(29)27-13-16-6-4-7-18(12-16)19-14-26-21(24)20(28-19)23(30)25-2/h4,6-12,14H,3,5,13H2,1-2H3,(H2,24,26)(H,25,30)(H,27,29).
What are the key properties of 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68820915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).