5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide

C23H29N7O2 — CID 142493349

IUPAC5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide
SMILESCc1nc(-c2ccc(CCN)cc2)cnc1N.O=CNc1cnccc1N1CCOCC1
InChIInChI=1S/C13H16N4.C10H13N3O2/c1-9-13(15)16-8-12(17-9)11-4-2-10(3-5-11)6-7-14;14-8-12-9-7-11-2-1-10(9)13-3-5-15-6-4-13/h2-5,8H,6-7,14H2,1H3,(H2,15,16);1-2,7-8H,3-6H2,(H,12,14)
InChIKeyAXGOKOVQTKREPV-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.02
Rot. Bonds6

About 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide

5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide (PubChem CID 142493349) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide
PubChem CID142493349
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide
SMILESCc1nc(-c2ccc(CCN)cc2)cnc1N.O=CNc1cnccc1N1CCOCC1
InChIInChI=1S/C13H16N4.C10H13N3O2/c1-9-13(15)16-8-12(17-9)11-4-2-10(3-5-11)6-7-14;14-8-12-9-7-11-2-1-10(9)13-3-5-15-6-4-13/h2-5,8H,6-7,14H2,1H3,(H2,15,16);1-2,7-8H,3-6H2,(H,12,14)
InChIKeyAXGOKOVQTKREPV-UHFFFAOYSA-N
XLogP2.02
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
CID 174022831
CID 174022831
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 167178690
methyl (2S)-2-amino-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]propanoate
CID 167597149
3-amino-6-[4-[[[(2S)-1-iodopyrrolidine-2-carbonyl]amino]methyl]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178568
3-amino-6-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167697728
3-amino-6-[4-[(1-iodopiperidin-4-yl)-methylamino]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178633
1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone
CID 167547959
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide
CID 147979880
3-amino-6-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167710858

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide (CID 142493349) is 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide is Cc1nc(-c2ccc(CCN)cc2)cnc1N.O=CNc1cnccc1N1CCOCC1.
What is the InChIKey of 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide?
The InChIKey is AXGOKOVQTKREPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.C10H13N3O2/c1-9-13(15)16-8-12(17-9)11-4-2-10(3-5-11)6-7-14;14-8-12-9-7-11-2-1-10(9)13-3-5-15-6-4-13/h2-5,8H,6-7,14H2,1H3,(H2,15,16);1-2,7-8H,3-6H2,(H,12,14).
What are the key properties of 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide?
5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide has a molecular weight of 435.53 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenyl]-3-methylpyrazin-2-amine;N-(4-morpholin-4-yl-3-pyridinyl)formamide is sourced from PubChem (CID 142493349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).