5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

C18H24ClN5O3 — CID 109277891

IUPAC5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)NCCCN(C)C)cn2)c(OC)cc1Cl
InChIInChI=1S/C18H24ClN5O3/c1-24(2)7-5-6-20-18(25)14-10-22-17(11-21-14)23-13-9-15(26-3)12(19)8-16(13)27-4/h8-11H,5-7H2,1-4H3,(H,20,25)(H,22,23)
InChIKeyQGIJHLZIJFZKOL-UHFFFAOYSA-N
MW393.88 g/mol
LogP2.57
Rot. Bonds9

About 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 109277891) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
PubChem CID109277891
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC Name5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)NCCCN(C)C)cn2)c(OC)cc1Cl
InChIInChI=1S/C18H24ClN5O3/c1-24(2)7-5-6-20-18(25)14-10-22-17(11-21-14)23-13-9-15(26-3)12(19)8-16(13)27-4/h8-11H,5-7H2,1-4H3,(H,20,25)(H,22,23)
InChIKeyQGIJHLZIJFZKOL-UHFFFAOYSA-N
XLogP2.57
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
CID 109288332
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289716
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277881
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109277899
5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
CID 109288056
N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109277760

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (CID 109277891) is 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is COc1cc(Nc2cnc(C(=O)NCCCN(C)C)cn2)c(OC)cc1Cl.
What is the InChIKey of 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is QGIJHLZIJFZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3/c1-24(2)7-5-6-20-18(25)14-10-22-17(11-21-14)23-13-9-15(26-3)12(19)8-16(13)27-4/h8-11H,5-7H2,1-4H3,(H,20,25)(H,22,23).
What are the key properties of 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 393.88 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109277891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).