N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine

C18H23N7 — CID 66556203

IUPACN'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCCCCN)n2)cn1
InChIInChI=1S/C18H23N7/c1-25(2)16-6-5-13(12-23-16)14-11-15-17(21-10-9-20-15)18(24-14)22-8-4-3-7-19/h5-6,9-12H,3-4,7-8,19H2,1-2H3,(H,22,24)
InChIKeyQEJOFXISUMFQBD-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.30
Rot. Bonds7

About N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine

N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine (PubChem CID 66556203) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
PubChem CID66556203
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCCCCN)n2)cn1
InChIInChI=1S/C18H23N7/c1-25(2)16-6-5-13(12-23-16)14-11-15-17(21-10-9-20-15)18(24-14)22-8-4-3-7-19/h5-6,9-12H,3-4,7-8,19H2,1-2H3,(H,22,24)
InChIKeyQEJOFXISUMFQBD-UHFFFAOYSA-N
XLogP2.30
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine?
The IUPAC name of N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine (CID 66556203) is N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine.
What is the SMILES notation for N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine?
The canonical SMILES for N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine is CN(C)c1ccc(-c2cc3nccnc3c(NCCCCN)n2)cn1.
What is the InChIKey of N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine?
The InChIKey is QEJOFXISUMFQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-25(2)16-6-5-13(12-23-16)14-11-15-17(21-10-9-20-15)18(24-14)22-8-4-3-7-19/h5-6,9-12H,3-4,7-8,19H2,1-2H3,(H,22,24).
What are the key properties of N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine?
N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine is sourced from PubChem (CID 66556203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).