3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride

C24H30ClN7O2 — CID 10163071

IUPAC3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
SMILESCc1cc(OCCN2CCN(C)CC2)ccc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1.Cl
InChIInChI=1S/C24H29N7O2.ClH/c1-17-14-19(33-13-12-31-10-8-30(2)9-11-31)5-6-20(17)21-16-27-23(25)22(29-21)24(32)28-18-4-3-7-26-15-18;/h3-7,14-16H,8-13H2,1-2H3,(H2,25,27)(H,28,32);1H
InChIKeyNXAGLCBFKHYHFA-UHFFFAOYSA-N
MW484.00 g/mol
LogP2.73
Rot. Bonds7

About 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride

3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride (PubChem CID 10163071) has the molecular formula C24H30ClN7O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
PubChem CID10163071
Molecular FormulaC24H30ClN7O2
Molecular Weight484.00 g/mol
Exact Mass483.21
IUPAC Name3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
SMILESCc1cc(OCCN2CCN(C)CC2)ccc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1.Cl
InChIInChI=1S/C24H29N7O2.ClH/c1-17-14-19(33-13-12-31-10-8-30(2)9-11-31)5-6-20(17)21-16-27-23(25)22(29-21)24(32)28-18-4-3-7-26-15-18;/h3-7,14-16H,8-13H2,1-2H3,(H2,25,27)(H,28,32);1H
InChIKeyNXAGLCBFKHYHFA-UHFFFAOYSA-N
XLogP2.73
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride (CID 10163071) is 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride is Cc1cc(OCCN2CCN(C)CC2)ccc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1.Cl.
What is the InChIKey of 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?
The InChIKey is NXAGLCBFKHYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2.ClH/c1-17-14-19(33-13-12-31-10-8-30(2)9-11-31)5-6-20(17)21-16-27-23(25)22(29-21)24(32)28-18-4-3-7-26-15-18;/h3-7,14-16H,8-13H2,1-2H3,(H2,25,27)(H,28,32);1H.
What are the key properties of 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?
3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride has a molecular weight of 484.00 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 10163071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).