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

C20H27N5O — CID 120597553

IUPAC2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
SMILESCN1CCN(c2cc(CNC(=O)C(C)(N)c3ccccc3)ccn2)CC1
InChIInChI=1S/C20H27N5O/c1-20(21,17-6-4-3-5-7-17)19(26)23-15-16-8-9-22-18(14-16)25-12-10-24(2)11-13-25/h3-9,14H,10-13,15,21H2,1-2H3,(H,23,26)
InChIKeyKXJLRDLZPSZQCK-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.32
Rot. Bonds5

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

2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide (PubChem CID 120597553) 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)-4-pyridinyl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
PubChem CID120597553
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
SMILESCN1CCN(c2cc(CNC(=O)C(C)(N)c3ccccc3)ccn2)CC1
InChIInChI=1S/C20H27N5O/c1-20(21,17-6-4-3-5-7-17)19(26)23-15-16-8-9-22-18(14-16)25-12-10-24(2)11-13-25/h3-9,14H,10-13,15,21H2,1-2H3,(H,23,26)
InChIKeyKXJLRDLZPSZQCK-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-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 120595081
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
CID 55911750
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111694332
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
1-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 131960881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide (CID 120597553) is 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide is CN1CCN(c2cc(CNC(=O)C(C)(N)c3ccccc3)ccn2)CC1.
What is the InChIKey of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide?
The InChIKey is KXJLRDLZPSZQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-20(21,17-6-4-3-5-7-17)19(26)23-15-16-8-9-22-18(14-16)25-12-10-24(2)11-13-25/h3-9,14H,10-13,15,21H2,1-2H3,(H,23,26).
What are the key properties of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide?
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-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)-4-pyridinyl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 120597553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).