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

C22H32N4O — CID 24768329

IUPACN-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(OC)cc1C
InChIInChI=1S/C22H32N4O/c1-6-8-12-25(7-2)20-15-17(4)24-22-21(20)23-11-13-26(22)19-10-9-18(27-5)14-16(19)3/h9-10,14-15,23H,6-8,11-13H2,1-5H3
InChIKeyAKCRCXMZFCNHMM-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.90
Rot. Bonds7

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

N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine (PubChem CID 24768329) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine
PubChem CID24768329
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(OC)cc1C
InChIInChI=1S/C22H32N4O/c1-6-8-12-25(7-2)20-15-17(4)24-22-21(20)23-11-13-26(22)19-10-9-18(27-5)14-16(19)3/h9-10,14-15,23H,6-8,11-13H2,1-5H3
InChIKeyAKCRCXMZFCNHMM-UHFFFAOYSA-N
XLogP4.90
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine (CID 24768329) is N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine is CCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(OC)cc1C.
What is the InChIKey of N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is AKCRCXMZFCNHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-6-8-12-25(7-2)20-15-17(4)24-22-21(20)23-11-13-26(22)19-10-9-18(27-5)14-16(19)3/h9-10,14-15,23H,6-8,11-13H2,1-5H3.
What are the key properties of N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine?
N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 368.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 24768329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).