N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide

C19H27N5O — CID 109273070

IUPACN-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(NCC(C)C)cn2)cc1
InChIInChI=1S/C19H27N5O/c1-5-24(6-2)16-9-7-15(8-10-16)23-19(25)17-12-22-18(13-20-17)21-11-14(3)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,21,22)(H,23,25)
InChIKeyKIAYRWRUTCDFRA-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.64
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide

N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide (PubChem CID 109273070) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
PubChem CID109273070
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(NCC(C)C)cn2)cc1
InChIInChI=1S/C19H27N5O/c1-5-24(6-2)16-9-7-15(8-10-16)23-19(25)17-12-22-18(13-20-17)21-11-14(3)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,21,22)(H,23,25)
InChIKeyKIAYRWRUTCDFRA-UHFFFAOYSA-N
XLogP3.64
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109273091
5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 107374377
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide (CID 109273070) is N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(NCC(C)C)cn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The InChIKey is KIAYRWRUTCDFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-24(6-2)16-9-7-15(8-10-16)23-19(25)17-12-22-18(13-20-17)21-11-14(3)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,21,22)(H,23,25).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).