N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide

C19H32N4O2 — CID 7271625

IUPACN-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCCCCCN(CCC(=O)NCC(C)C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H32N4O2/c1-5-6-7-8-10-23(11-9-18(24)22-12-15(2)3)19(25)17-14-20-16(4)13-21-17/h13-15H,5-12H2,1-4H3,(H,22,24)
InChIKeyBHHSAHRNUMHYEM-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.97
Rot. Bonds11

About N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 7271625) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID7271625
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCCCCCN(CCC(=O)NCC(C)C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H32N4O2/c1-5-6-7-8-10-23(11-9-18(24)22-12-15(2)3)19(25)17-14-20-16(4)13-21-17/h13-15H,5-12H2,1-4H3,(H,22,24)
InChIKeyBHHSAHRNUMHYEM-UHFFFAOYSA-N
XLogP2.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
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-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 7271625) is N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide is CCCCCCN(CCC(=O)NCC(C)C)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is BHHSAHRNUMHYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-6-7-8-10-23(11-9-18(24)22-12-15(2)3)19(25)17-14-20-16(4)13-21-17/h13-15H,5-12H2,1-4H3,(H,22,24).
What are the key properties of N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7271625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).