N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide

C13H17N5O — CID 133303906

IUPACN-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1ccc2nccnc2n1
InChIInChI=1S/C13H17N5O/c1-10(19)14-6-3-9-18(2)12-5-4-11-13(17-12)16-8-7-15-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,19)
InChIKeyYCWUZNMXPIPWJZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.99
Rot. Bonds5

About N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide

N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide (PubChem CID 133303906) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
PubChem CID133303906
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1ccc2nccnc2n1
InChIInChI=1S/C13H17N5O/c1-10(19)14-6-3-9-18(2)12-5-4-11-13(17-12)16-8-7-15-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,19)
InChIKeyYCWUZNMXPIPWJZ-UHFFFAOYSA-N
XLogP0.99
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
CID 133303964
N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
CID 133303912
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide
CID 133313683
6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339834
N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide
CID 45267437
N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine
CID 133309807
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N-[3-(3-chloro-N-methylanilino)propyl]acetamide
CID 154166795
N-(2-bromoethyl)-N-ethylpyrido[2,3-b]pyrazin-6-amine
CID 80672504
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
CID 133372919
N-[3-[(4-amino-5-nitropyrimidin-2-yl)-methylamino]propyl]acetamide
CID 133303902

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide?
The IUPAC name of N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide (CID 133303906) is N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide is CC(=O)NCCCN(C)c1ccc2nccnc2n1.
What is the InChIKey of N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide?
The InChIKey is YCWUZNMXPIPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(19)14-6-3-9-18(2)12-5-4-11-13(17-12)16-8-7-15-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,14,19).
What are the key properties of N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide?
N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide is sourced from PubChem (CID 133303906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).