2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide

C19H23N5O2 — CID 126675400

IUPAC2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
SMILESCN1CCN(CC(=O)c2ccc(-c3cnc(N)c(C(N)=O)c3)cc2)CC1
InChIInChI=1S/C19H23N5O2/c1-23-6-8-24(9-7-23)12-17(25)14-4-2-13(3-5-14)15-10-16(19(21)26)18(20)22-11-15/h2-5,10-11H,6-9,12H2,1H3,(H2,20,22)(H2,21,26)
InChIKeyRLPHBURDJQMMPI-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.86
Rot. Bonds5

About 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide

2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide (PubChem CID 126675400) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
PubChem CID126675400
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
SMILESCN1CCN(CC(=O)c2ccc(-c3cnc(N)c(C(N)=O)c3)cc2)CC1
InChIInChI=1S/C19H23N5O2/c1-23-6-8-24(9-7-23)12-17(25)14-4-2-13(3-5-14)15-10-16(19(21)26)18(20)22-11-15/h2-5,10-11H,6-9,12H2,1H3,(H2,20,22)(H2,21,26)
InChIKeyRLPHBURDJQMMPI-UHFFFAOYSA-N
XLogP0.86
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 146427017
2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392
1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone
CID 158445960
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
CID 170861345
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
CID 145269236
2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone
CID 170861866
1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862084
2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
CID 126674978

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide (CID 126675400) is 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide is CN1CCN(CC(=O)c2ccc(-c3cnc(N)c(C(N)=O)c3)cc2)CC1.
What is the InChIKey of 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RLPHBURDJQMMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-6-8-24(9-7-23)12-17(25)14-4-2-13(3-5-14)15-10-16(19(21)26)18(20)22-11-15/h2-5,10-11H,6-9,12H2,1H3,(H2,20,22)(H2,21,26).
What are the key properties of 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide?
2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126675400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).