N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine

C21H31N5O2 — CID 24768332

IUPACN-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(OC)nc1OC
InChIInChI=1S/C21H31N5O2/c1-6-8-12-25(7-2)17-14-15(3)23-20-19(17)22-11-13-26(20)16-9-10-18(27-4)24-21(16)28-5/h9-10,14,22H,6-8,11-13H2,1-5H3
InChIKeyZJEDWKRGKJFPCF-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.99
Rot. Bonds8

About N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine

N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine (PubChem CID 24768332) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound NameN-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine
PubChem CID24768332
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(OC)nc1OC
InChIInChI=1S/C21H31N5O2/c1-6-8-12-25(7-2)17-14-15(3)23-20-19(17)22-11-13-26(20)16-9-10-18(27-4)24-21(16)28-5/h9-10,14,22H,6-8,11-13H2,1-5H3
InChIKeyZJEDWKRGKJFPCF-UHFFFAOYSA-N
XLogP3.99
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine (CID 24768332) is N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine is CCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(OC)nc1OC.
What is the InChIKey of N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is ZJEDWKRGKJFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-6-8-12-25(7-2)17-14-15(3)23-20-19(17)22-11-13-26(20)16-9-10-18(27-4)24-21(16)28-5/h9-10,14,22H,6-8,11-13H2,1-5H3.
What are the key properties of N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 385.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 24768332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).