6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine

C21H24N4O2 — CID 56947484

IUPAC6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine
SMILESCOCCOc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1
InChIInChI=1S/C21H24N4O2/c1-26-12-13-27-18-9-11-23-21(15-18)25-20-7-3-6-19(24-20)17-5-2-4-16(14-17)8-10-22/h2-7,9,11,14-15H,8,10,12-13,22H2,1H3,(H,23,24,25)
InChIKeyGPJBWZCVVPVVBJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.41
Rot. Bonds9

About 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine

6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine (PubChem CID 56947484) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine
PubChem CID56947484
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine
SMILESCOCCOc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1
InChIInChI=1S/C21H24N4O2/c1-26-12-13-27-18-9-11-23-21(15-18)25-20-7-3-6-19(24-20)17-5-2-4-16(14-17)8-10-22/h2-7,9,11,14-15H,8,10,12-13,22H2,1H3,(H,23,24,25)
InChIKeyGPJBWZCVVPVVBJ-UHFFFAOYSA-N
XLogP3.41
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 11369816
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CID 11667189
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CID 53325827
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CID 150436720
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CID 44404893
CID 44404893
CID 137659287
CID 137659287
CID 90042042
CID 90042042
CID 118307561
CID 118307561
CID 164912181
CID 164912181
CID 164912206
CID 164912206
CID 85808459
CID 85808459
CID 172434966
CID 172434966

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine (CID 56947484) is 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine is COCCOc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1.
What is the InChIKey of 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine?
The InChIKey is GPJBWZCVVPVVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-12-13-27-18-9-11-23-21(15-18)25-20-7-3-6-19(24-20)17-5-2-4-16(14-17)8-10-22/h2-7,9,11,14-15H,8,10,12-13,22H2,1H3,(H,23,24,25).
What are the key properties of 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine?
6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)phenyl]-N-[4-(2-methoxyethoxy)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56947484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).