2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide

C20H27N5O — CID 120597599

IUPAC2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
SMILESCN1CCN(c2ncccc2CNC(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C20H27N5O/c1-20(21,17-8-4-3-5-9-17)19(26)23-15-16-7-6-10-22-18(16)25-13-11-24(2)12-14-25/h3-10H,11-15,21H2,1-2H3,(H,23,26)
InChIKeyJRPSFXDAXCOHGV-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide

2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide (PubChem CID 120597599) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
PubChem CID120597599
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
SMILESCN1CCN(c2ncccc2CNC(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C20H27N5O/c1-20(21,17-8-4-3-5-9-17)19(26)23-15-16-7-6-10-22-18(16)25-13-11-24(2)12-14-25/h3-10H,11-15,21H2,1-2H3,(H,23,26)
InChIKeyJRPSFXDAXCOHGV-UHFFFAOYSA-N
XLogP1.32
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 120595081
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide (CID 120597599) is 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide is CN1CCN(c2ncccc2CNC(=O)C(C)(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide?
The InChIKey is JRPSFXDAXCOHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-20(21,17-8-4-3-5-9-17)19(26)23-15-16-7-6-10-22-18(16)25-13-11-24(2)12-14-25/h3-10H,11-15,21H2,1-2H3,(H,23,26).
What are the key properties of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide?
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 1.32, 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-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 120597599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).