N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide

C26H30N4O2 — CID 70006888

IUPACN-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(CCc3ccc(-c4cccc(N)n4)cc3)C2)c1
InChIInChI=1S/C26H30N4O2/c1-32-23-5-2-4-20(16-23)17-26(31)28-22-13-15-30(18-22)14-12-19-8-10-21(11-9-19)24-6-3-7-25(27)29-24/h2-11,16,22H,12-15,17-18H2,1H3,(H2,27,29)(H,28,31)
InChIKeyMIAFAYXNGYGILH-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.32
Rot. Bonds8

About N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide

N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 70006888) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID70006888
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(CCc3ccc(-c4cccc(N)n4)cc3)C2)c1
InChIInChI=1S/C26H30N4O2/c1-32-23-5-2-4-20(16-23)17-26(31)28-22-13-15-30(18-22)14-12-19-8-10-21(11-9-19)24-6-3-7-25(27)29-24/h2-11,16,22H,12-15,17-18H2,1H3,(H2,27,29)(H,28,31)
InChIKeyMIAFAYXNGYGILH-UHFFFAOYSA-N
XLogP3.32
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide
CID 18414515
1-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-1-benzylurea
CID 57279783
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 25205437
2-(4-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119897115
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414394

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide (CID 70006888) is N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC2CCN(CCc3ccc(-c4cccc(N)n4)cc3)C2)c1.
What is the InChIKey of N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is MIAFAYXNGYGILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-32-23-5-2-4-20(16-23)17-26(31)28-22-13-15-30(18-22)14-12-19-8-10-21(11-9-19)24-6-3-7-25(27)29-24/h2-11,16,22H,12-15,17-18H2,1H3,(H2,27,29)(H,28,31).
What are the key properties of N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 430.55 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 70006888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).