4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide

C22H27N5O2 — CID 46396750

IUPAC4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCC1C(=O)N(CC2CC2)c2ncccc2N1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C22H27N5O2/c1-15-21(28)26(14-17-6-7-17)20-19(5-4-12-23-20)27(15)22(29)24-13-16-8-10-18(11-9-16)25(2)3/h4-5,8-12,15,17H,6-7,13-14H2,1-3H3,(H,24,29)
InChIKeyYFDKGBZWESZWOR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.01
Rot. Bonds5

About 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide

4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 46396750) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID46396750
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCC1C(=O)N(CC2CC2)c2ncccc2N1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C22H27N5O2/c1-15-21(28)26(14-17-6-7-17)20-19(5-4-12-23-20)27(15)22(29)24-13-16-8-10-18(11-9-16)25(2)3/h4-5,8-12,15,17H,6-7,13-14H2,1-3H3,(H,24,29)
InChIKeyYFDKGBZWESZWOR-UHFFFAOYSA-N
XLogP3.01
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide (CID 46396750) is 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide is CC1C(=O)N(CC2CC2)c2ncccc2N1C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is YFDKGBZWESZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-21(28)26(14-17-6-7-17)20-19(5-4-12-23-20)27(15)22(29)24-13-16-8-10-18(11-9-16)25(2)3/h4-5,8-12,15,17H,6-7,13-14H2,1-3H3,(H,24,29).
What are the key properties of 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 46396750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).