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

C19H22N4O3 — CID 53071786

IUPACN-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(OC)c(OC)c2)c2cccnc21
InChIInChI=1S/C19H22N4O3/c1-4-10-22-11-12-23(15-6-5-9-20-18(15)22)19(24)21-14-7-8-16(25-2)17(13-14)26-3/h4-9,13H,1,10-12H2,2-3H3,(H,21,24)
InChIKeyQVTPHRGUYCZNDZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.14
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 53071786) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID53071786
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(OC)c(OC)c2)c2cccnc21
InChIInChI=1S/C19H22N4O3/c1-4-10-22-11-12-23(15-6-5-9-20-18(15)22)19(24)21-14-7-8-16(25-2)17(13-14)26-3/h4-9,13H,1,10-12H2,2-3H3,(H,21,24)
InChIKeyQVTPHRGUYCZNDZ-UHFFFAOYSA-N
XLogP3.14
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071695
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
4-benzyl-N-(3,5-dimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071605
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071619
N-(5-chloro-2-methylphenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071678
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 121107789
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (CID 53071786) is N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is C=CCN1CCN(C(=O)Nc2ccc(OC)c(OC)c2)c2cccnc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is QVTPHRGUYCZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-10-22-11-12-23(15-6-5-9-20-18(15)22)19(24)21-14-7-8-16(25-2)17(13-14)26-3/h4-9,13H,1,10-12H2,2-3H3,(H,21,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 53071786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).