2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide

C18H23N5O — CID 39181745

IUPAC2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)CN)cn3)CC2)c1
InChIInChI=1S/C18H23N5O/c1-14-3-2-4-16(11-14)22-7-9-23(10-8-22)17-6-5-15(13-20-17)21-18(24)12-19/h2-6,11,13H,7-10,12,19H2,1H3,(H,21,24)
InChIKeyFGQSJFQUFVZYOI-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide

2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide (PubChem CID 39181745) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
PubChem CID39181745
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)CN)cn3)CC2)c1
InChIInChI=1S/C18H23N5O/c1-14-3-2-4-16(11-14)22-7-9-23(10-8-22)17-6-5-15(13-20-17)21-18(24)12-19/h2-6,11,13H,7-10,12,19H2,1H3,(H,21,24)
InChIKeyFGQSJFQUFVZYOI-UHFFFAOYSA-N
XLogP1.61
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113014312
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113011160
N-(6-amino-3-pyridinyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119516064
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide (CID 39181745) is 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide is Cc1cccc(N2CCN(c3ccc(NC(=O)CN)cn3)CC2)c1.
What is the InChIKey of 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide?
The InChIKey is FGQSJFQUFVZYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-3-2-4-16(11-14)22-7-9-23(10-8-22)17-6-5-15(13-20-17)21-18(24)12-19/h2-6,11,13H,7-10,12,19H2,1H3,(H,21,24).
What are the key properties of 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide?
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 39181745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).