N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide

C20H26N4O3 — CID 4253079

IUPACN-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)Nc1ccc(C)c(C)c1)C(=O)c1cnccn1
InChIInChI=1S/C20H26N4O3/c1-15-5-6-17(13-16(15)2)23-19(25)7-11-24(10-4-12-27-3)20(26)18-14-21-8-9-22-18/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,23,25)
InChIKeyVGBMKCOQYQLSMM-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.60
Rot. Bonds9

About N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide

N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide (PubChem CID 4253079) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
PubChem CID4253079
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)Nc1ccc(C)c(C)c1)C(=O)c1cnccn1
InChIInChI=1S/C20H26N4O3/c1-15-5-6-17(13-16(15)2)23-19(25)7-11-24(10-4-12-27-3)20(26)18-14-21-8-9-22-18/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,23,25)
InChIKeyVGBMKCOQYQLSMM-UHFFFAOYSA-N
XLogP2.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 3558029
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253083
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 3425328
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253080
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 39231127
N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783353

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide (CID 4253079) is N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide is COCCCN(CCC(=O)Nc1ccc(C)c(C)c1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The InChIKey is VGBMKCOQYQLSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-5-6-17(13-16(15)2)23-19(25)7-11-24(10-4-12-27-3)20(26)18-14-21-8-9-22-18/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 4253079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).