8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride

C22H30ClN7O2 — CID 54610259

IUPAC8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride
SMILESCCN(CC)CCCC(C)Nc1cc(N)nc2nc(-c3ccc([N+](=O)[O-])cc3)cnc12.Cl
InChIInChI=1S/C22H29N7O2.ClH/c1-4-28(5-2)12-6-7-15(3)25-18-13-20(23)27-22-21(18)24-14-19(26-22)16-8-10-17(11-9-16)29(30)31;/h8-11,13-15H,4-7,12H2,1-3H3,(H3,23,25,26,27);1H
InChIKeyNUTUNUKSJDKQDL-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.53
Rot. Bonds10

About 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride

8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride (PubChem CID 54610259) has the molecular formula C22H30ClN7O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride.

Molecular Properties

Compound Name8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride
PubChem CID54610259
Molecular FormulaC22H30ClN7O2
Molecular Weight459.98 g/mol
Exact Mass459.21
IUPAC Name8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride
SMILESCCN(CC)CCCC(C)Nc1cc(N)nc2nc(-c3ccc([N+](=O)[O-])cc3)cnc12.Cl
InChIInChI=1S/C22H29N7O2.ClH/c1-4-28(5-2)12-6-7-15(3)25-18-13-20(23)27-22-21(18)24-14-19(26-22)16-8-10-17(11-9-16)29(30)31;/h8-11,13-15H,4-7,12H2,1-3H3,(H3,23,25,26,27);1H
InChIKeyNUTUNUKSJDKQDL-UHFFFAOYSA-N
XLogP4.53
TPSA123.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride?
The IUPAC name of 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride (CID 54610259) is 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride.
What is the SMILES notation for 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride?
The canonical SMILES for 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride is CCN(CC)CCCC(C)Nc1cc(N)nc2nc(-c3ccc([N+](=O)[O-])cc3)cnc12.Cl.
What is the InChIKey of 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride?
The InChIKey is NUTUNUKSJDKQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2.ClH/c1-4-28(5-2)12-6-7-15(3)25-18-13-20(23)27-22-21(18)24-14-19(26-22)16-8-10-17(11-9-16)29(30)31;/h8-11,13-15H,4-7,12H2,1-3H3,(H3,23,25,26,27);1H.
What are the key properties of 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride?
8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride has a molecular weight of 459.98 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride is sourced from PubChem (CID 54610259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).