1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

C15H18N6O — CID 16666579

IUPAC1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(C#CCN(C)C)nc2n1
InChIInChI=1S/C15H18N6O/c1-4-16-15(22)20-13-8-7-12-14(19-13)18-11(10-17-12)6-5-9-21(2)3/h7-8,10H,4,9H2,1-3H3,(H2,16,18,19,20,22)
InChIKeyDEXNQCBWKKLLLW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.08
Rot. Bonds3

About 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 16666579) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID16666579
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(C#CCN(C)C)nc2n1
InChIInChI=1S/C15H18N6O/c1-4-16-15(22)20-13-8-7-12-14(19-13)18-11(10-17-12)6-5-9-21(2)3/h7-8,10H,4,9H2,1-3H3,(H2,16,18,19,20,22)
InChIKeyDEXNQCBWKKLLLW-UHFFFAOYSA-N
XLogP1.08
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 16666579) is 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(C#CCN(C)C)nc2n1.
What is the InChIKey of 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is DEXNQCBWKKLLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-4-16-15(22)20-13-8-7-12-14(19-13)18-11(10-17-12)6-5-9-21(2)3/h7-8,10H,4,9H2,1-3H3,(H2,16,18,19,20,22).
What are the key properties of 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 298.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 16666579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).