2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride

C17H22Cl2N4O — CID 120644180

IUPAC2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)Nc2cccc(N3CCCC3)c2)nc1
InChIInChI=1S/C17H20N4O.2ClH/c18-13-6-7-14(19-12-13)11-17(22)20-15-4-3-5-16(10-15)21-8-1-2-9-21;;/h3-7,10,12H,1-2,8-9,11,18H2,(H,20,22);2*1H
InChIKeyDOZCVGMHXZOUAA-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.29
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride

2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride (PubChem CID 120644180) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride
PubChem CID120644180
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)Nc2cccc(N3CCCC3)c2)nc1
InChIInChI=1S/C17H20N4O.2ClH/c18-13-6-7-14(19-12-13)11-17(22)20-15-4-3-5-16(10-15)21-8-1-2-9-21;;/h3-7,10,12H,1-2,8-9,11,18H2,(H,20,22);2*1H
InChIKeyDOZCVGMHXZOUAA-UHFFFAOYSA-N
XLogP3.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 120644181
2-(5-amino-2-pyridinyl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 120639469
N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide
CID 167809482
2-(5-amino-2-pyridinyl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 107337793
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 120621270
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
2-(5-amino-2-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 107339031

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride (CID 120644180) is 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)Nc2cccc(N3CCCC3)c2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride?
The InChIKey is DOZCVGMHXZOUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.2ClH/c18-13-6-7-14(19-12-13)11-17(22)20-15-4-3-5-16(10-15)21-8-1-2-9-21;;/h3-7,10,12H,1-2,8-9,11,18H2,(H,20,22);2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride?
2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride has a molecular weight of 369.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120644180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).