N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide

C19H24N4O2 — CID 17019766

IUPACN-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)15-7-5-14(6-8-15)17(24)22-9-4-10-23-18(25)16-13-20-11-12-21-16/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTXHSCCKCFSWQU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds6

About N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide

N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 17019766) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID17019766
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)15-7-5-14(6-8-15)17(24)22-9-4-10-23-18(25)16-13-20-11-12-21-16/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTXHSCCKCFSWQU-UHFFFAOYSA-N
XLogP2.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide (CID 17019766) is N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide is CC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is UTXHSCCKCFSWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)15-7-5-14(6-8-15)17(24)22-9-4-10-23-18(25)16-13-20-11-12-21-16/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 17019766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).