N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide

C19H22N4O — CID 53071783

IUPACN-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(C)c(C)c2)c2cccnc21
InChIInChI=1S/C19H22N4O/c1-4-10-22-11-12-23(17-6-5-9-20-18(17)22)19(24)21-16-8-7-14(2)15(3)13-16/h4-9,13H,1,10-12H2,2-3H3,(H,21,24)
InChIKeySIWCYUWRVRKKFO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.74
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide

N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 53071783) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID53071783
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(C)c(C)c2)c2cccnc21
InChIInChI=1S/C19H22N4O/c1-4-10-22-11-12-23(17-6-5-9-20-18(17)22)19(24)21-16-8-7-14(2)15(3)13-16/h4-9,13H,1,10-12H2,2-3H3,(H,21,24)
InChIKeySIWCYUWRVRKKFO-UHFFFAOYSA-N
XLogP3.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071786
N-(2,3-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071781
N-(2-ethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071803
4-benzyl-N-(3,5-dimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071605
N-(5-chloro-2-methylphenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071678
ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071687
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071619
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071615

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (CID 53071783) is N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is C=CCN1CCN(C(=O)Nc2ccc(C)c(C)c2)c2cccnc21.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is SIWCYUWRVRKKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-10-22-11-12-23(17-6-5-9-20-18(17)22)19(24)21-16-8-7-14(2)15(3)13-16/h4-9,13H,1,10-12H2,2-3H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 53071783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).