N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide

C22H26N6O — CID 71113684

IUPACN-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1
InChIInChI=1S/C22H26N6O/c1-2-24-22(29)17-7-5-16(6-8-17)18-12-19-20(26-11-10-25-19)21(28-18)27-14-15-4-3-9-23-13-15/h5-8,10-12,15,23H,2-4,9,13-14H2,1H3,(H,24,29)(H,27,28)
InChIKeyUFQALHVRSLBYOV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.85
Rot. Bonds6

About N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide

N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide (PubChem CID 71113684) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
PubChem CID71113684
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1
InChIInChI=1S/C22H26N6O/c1-2-24-22(29)17-7-5-16(6-8-17)18-12-19-20(26-11-10-25-19)21(28-18)27-14-15-4-3-9-23-13-15/h5-8,10-12,15,23H,2-4,9,13-14H2,1H3,(H,24,29)(H,27,28)
InChIKeyUFQALHVRSLBYOV-UHFFFAOYSA-N
XLogP2.85
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone
CID 71113693
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685
7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113328
7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113438
7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113761
7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012250
N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66556702
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113679
7-(3-chloro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113390
7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113886
2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol
CID 71113909

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide?
The IUPAC name of N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide (CID 71113684) is N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide.
What is the SMILES notation for N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide?
The canonical SMILES for N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide is CCNC(=O)c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1.
What is the InChIKey of N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide?
The InChIKey is UFQALHVRSLBYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-24-22(29)17-7-5-16(6-8-17)18-12-19-20(26-11-10-25-19)21(28-18)27-14-15-4-3-9-23-13-15/h5-8,10-12,15,23H,2-4,9,13-14H2,1H3,(H,24,29)(H,27,28).
What are the key properties of N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide?
N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 71113684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).