3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide

C17H19N7O — CID 66555697

IUPAC3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCCC(N)=O)n2)cn1
InChIInChI=1S/C17H19N7O/c1-24(2)15-4-3-11(10-22-15)12-9-13-16(20-8-7-19-13)17(23-12)21-6-5-14(18)25/h3-4,7-10H,5-6H2,1-2H3,(H2,18,25)(H,21,23)
InChIKeyRQIHWUXZUCCRLQ-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.44
Rot. Bonds6

About 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide

3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide (PubChem CID 66555697) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide
PubChem CID66555697
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCCC(N)=O)n2)cn1
InChIInChI=1S/C17H19N7O/c1-24(2)15-4-3-11(10-22-15)12-9-13-16(20-8-7-19-13)17(23-12)21-6-5-14(18)25/h3-4,7-10H,5-6H2,1-2H3,(H2,18,25)(H,21,23)
InChIKeyRQIHWUXZUCCRLQ-UHFFFAOYSA-N
XLogP1.44
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide?
The IUPAC name of 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide (CID 66555697) is 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide.
What is the SMILES notation for 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide?
The canonical SMILES for 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide is CN(C)c1ccc(-c2cc3nccnc3c(NCCC(N)=O)n2)cn1.
What is the InChIKey of 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide?
The InChIKey is RQIHWUXZUCCRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-24(2)15-4-3-11(10-22-15)12-9-13-16(20-8-7-19-13)17(23-12)21-6-5-14(18)25/h3-4,7-10H,5-6H2,1-2H3,(H2,18,25)(H,21,23).
What are the key properties of 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide?
3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide has a molecular weight of 337.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide is sourced from PubChem (CID 66555697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).