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

C19H25N5O — CID 56745164

IUPAC2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCc1ccccc1N1CCN(c2ncccc2CNC(=O)CN)CC1
InChIInChI=1S/C19H25N5O/c1-15-5-2-3-7-17(15)23-9-11-24(12-10-23)19-16(6-4-8-21-19)14-22-18(25)13-20/h2-8H,9-14,20H2,1H3,(H,22,25)
InChIKeyMBDJNQCASNSASL-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.29
Rot. Bonds5

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

2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 56745164) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
PubChem CID56745164
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCc1ccccc1N1CCN(c2ncccc2CNC(=O)CN)CC1
InChIInChI=1S/C19H25N5O/c1-15-5-2-3-7-17(15)23-9-11-24(12-10-23)19-16(6-4-8-21-19)14-22-18(25)13-20/h2-8H,9-14,20H2,1H3,(H,22,25)
InChIKeyMBDJNQCASNSASL-UHFFFAOYSA-N
XLogP1.29
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide
CID 56743397
1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 167827928
2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 71876650
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 25454870
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide (CID 56745164) is 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide is Cc1ccccc1N1CCN(c2ncccc2CNC(=O)CN)CC1.
What is the InChIKey of 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is MBDJNQCASNSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-5-2-3-7-17(15)23-9-11-24(12-10-23)19-16(6-4-8-21-19)14-22-18(25)13-20/h2-8H,9-14,20H2,1H3,(H,22,25).
What are the key properties of 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 56745164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).