N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide

C19H25N5O — CID 109272328

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C19H25N5O/c1-5-10-20-18-13-21-17(12-22-18)19(25)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,20,22)(H,23,25)
InChIKeyUXWKCWQSOJIOIX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.48
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272328) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272328
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C19H25N5O/c1-5-10-20-18-13-21-17(12-22-18)19(25)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,20,22)(H,23,25)
InChIKeyUXWKCWQSOJIOIX-UHFFFAOYSA-N
XLogP3.48
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289101
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317
N-[4-(diethylamino)-2-methylphenyl]-3-(prop-2-enylamino)propanamide
CID 109012165
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272307
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272328) is N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is UXWKCWQSOJIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-10-20-18-13-21-17(12-22-18)19(25)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,20,22)(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).